JNCASR-I2CAM School-2017 on Clean and Renewable Energy ... · JNCASR-I2CAM School-2017 on Clean and...

JNCASR-I2CAM School-2017on

Clean and Renewable Energy Technologies via Chemical Route

Venue: Conference Hall, JNCASR, Jakkur,

Bangalore-560064

Partial Sponsors: 27th November - 2nd December 2017

Abstract Book

Preface

The International Institute for Complex Adaptive Matter (I2CAM) is an organization to

promote the research in Complex Adaptive Matter - a search for an understanding of emergent

behaviour in hard, soft and living matter. Through its branches in the US, Europe, Asia, South

America, the Middle East and Australia, it nucleates and conducts collaborative research and

scientific training that links together scientists in different fields and different institutions.

In light of these activities of I2CAM, we at Jawaharlal Nehru Centre for Advanced Scientific

Research (JNCASR), a branch member of I2CAM, are organizing this school titled "Clean and

Renewable Energy Technologies via Chemical Route" which will be held from November 27

- December 2, 2017 at JNCASR, Bangalore, India. As the title of I2CAM reveals, we wish to

address the most important and diverse applications of energy, its generation, storage and

application via chemical routes, both from fundamental (theoretical) and practical

(experimental) applications point of view in this discussion and teaching school. The topics to

be discussed in this school ranges over broad areas of research and basic science related to the

field of renewable energies. Examples of some major topics to be covered in this school are

hydrogen and fuel cells, battery and supercapacitors, thermoelectric devices, water splitting,

biomass utilization and conversion, photovoltaic conversion, renewable energy research and

applications for industry, materials design and fabrication and Mechanistic studies via

electronic structure calculations.

About 23 national and international speakers who are stalwarts in their field of research coming

from both academic and industrial sectors will deliver their lectures in this school. One-hour

lectures given by scientists from JNCASR, IISC, IITs, IISER, TIFR, CECRI, ICAS, Weizmann

Institute of Science, University of Notre Dame, UC Davis, Universtiy of Southampton, TU

Munchen, University of Texas at Austin, and University of Southern California, industries like

SABIC, Thermax will give a pedagogic view of the basic concepts and frontier research

activities happening in each topic. Special care has been taken to have synergistic approach

towards understanding the depths of the topics through both academic and industrial point of

views. This year about 150 students, young researchers and scientist will be participating in

this school. In addition to the academic program several interactive and cultural sessions has

been arranged to encourage the participants to interact with each other and involve in active

discussions with the speakers. Active participations from the young students and researchers

have been strongly encouraged through poster presentations and specific interaction sessions

with renowned scientists from both academia and industry.

Conveners,

Sebastian C. Peter

Swapan K. Pati

Jawaharlal Nehru Centre for Advanced Scientific Research

Bangalore, India.

November 27 – December 2, 2017

Abstract Book

Venue:

AMRL Conference Hall


Jakkur, Bengaluru – 560064

JNCASR-I2CAM School - 2017

on

Clean and Renewable Energy

Technologies via Chemical Route

Organizing Institutions

Institute for Complex Adaptive Matter

University of California, Davis

One Shields Avenue

Davis, CA 95616-5270

http://icam-i2cam.org/


Jakkur, Bengaluru – 560 064

http://www.jncasr.ac.in

Hosted at


Jakkur, Bengaluru – 560 064


http://icam-i2cam.org/

http://www.jncasr.ac.in/

http://www.jncasr.ac.in/

Contact

Sebastian C. Peter +91 80 22082998

Swapan K. Pati +91 80 22082839

Joydeep Deb +91 80 2208 2751

(Administrative Officer)

JNCASR Reception +91 8022082750

Security, JNCASR +80 2208 2800/22082799

Dhanvantari Health Centre +91 80 2208 2795

Speakers Accommodation:

I-House, Jakkur Campus +91 80 2208 2500

Participants Accommodation:

Visiting Students Hostel +91 80 2208 2668

Jawahar Visitors House +91 80 2293 2499/2336

Eshas’s nest (PG) +918041426311

Programme

8:00 A.M. -9.00 A.M. Registration and Welcome

Session 1

Chair: Prof. Swapan K. Pati

9:00 A.M. -10:00 A.M. Prof. Vijayamohanan K. Pillai

Role of Redox Flow Batteries in Large Scale Energy Storage

10:00 A.M. -11:00 A.M. Prof. Denis Kramer

Beyond d-band Theory: Rational Approaches for Next Generation

Electrocatalysts

11:00 A.M. -11:30 A.M. Discussion

11:30 A.M. -12:30 P.M. Tea and Poster Session

13:00 P.M. -14:00 P.M. Lunch

Session 2

Chair: Subi Jacob George

14:00 P.M. -15:00 P.M. Prof. Satish Ogale

Novel Clean Energy Solutions through Materials Innovation: Science

for a Better Tomorrow

15:00 P.M. -16:00 P.M. Prof. Vivek Polshettiwar

Synthesis, Formation Mechanism and Applications of Dendritic Fibrous

Nanosilica (DFNS) for Catalysts and CO2 Capture

16:00 P.M. -16:30 P.M. Tea break

16:30 P.M. -17:30 P.M. Prof. K. S. Narayan

Techniques to Predict Reliability and Non-performing Photovoltaic

Cells

17:30 P.M. -18.00 P.M. Discussion

18:00 P.M. -19:00 P.M. Special interaction with speakers

19:00 P.M. -20:30 P.M. Dinner

Monday November 27th, 2017

Programme

Session 3

Chair: M. Eswaramoorthy

9:00 A.M. -10:00 A.M. Prof. G. K. Suryaprakash

Beyond Oil and Gas: The Methanol EconomyR

10:00 A.M. -11:00 A.M. Prof. Arumugam Manthiram

Electrical Energy Storage: Next Generation Battery Chemistries

11:00 A.M. -11:30 A.M. Tea break

11:30 A.M. -12:30 P.M. Prof. S. Sampath

Electrocatalysis: Fundamentals and Materials Aspects

12:30 P.M. -13:00 P.M. Discussion

13:00 P.M. -14:00 P.M. Lunch

Session 4

Chair: Prof. Tapas K. Maji

14:00 P.M. -15:00 P.M. Prof. Ronny Neumann

The Importance of Electron Transfer in Polyoxometalate Catalysed

Reactions: Photo/electrochemical Reduction of CO2 and Electron

Transfer Oxidation Hydrocarbons

15:00 P.M. -16:00 P.M. Prof. Umesh V. Waghmare

Materials for Energy Conversion and Storage: First-principles Theory

and Simulations

16:00 P.M. -16:30 P.M. Tea break

16:30 P.M. -17:30 P.M. Prof. Aninda J. Bhattacharya

Electrochemical Microbial Technologies


19:00 P.M. -20:30 P.M. Dinner

Tuesday November 28th, 2017

Programme

Session 5

Chair: Prof. A. Sundaresan

9:00 A.M. -10:00 A.M. Prof. Tom Nilges

Synthesis, Characterization and Application of Low-dimensional

semiconductors

10:00 A.M. -11:00 A.M. Prof. Prabeer Barpanda

Development of High Energy Density Sodium Battery Cathode Materials



13:00 P.M. -14:00 P.M. Lunch

Session 6

Chair: Prof. Sridhar Rajaram

14:00 P.M. -15:00 P.M. Prof. Davide Donadio

Heat Transport and Dissipation at the Nanoscale from Molecular

Dynamics Simulation

15:00 P.M. -16:00 P.M. Dr. R. R. Sonde

Decarbonised Fossil as an Important Tool in the Dsitributed Energy

Landscape: Hybrod RE and Decarbonised Fossil Technologies

16:00 P.M. -16:30 P.M. Tea break

16:30 P.M. -17:30 P.M. Prof. Kanishka Biswas

Ultra-low Thermal Conductivity in Complex Chalcogenides for High

Performance Thermoelectric Energy Conversion


19:00 P.M. onwards Cultural Programme and Dinner

Thursday November 30th, 2017

Programme

Session 7

Chair: Prof. Chandrabhas Narayana

9:00 A.M. -10:00 A.M. Prof. S. Sivaram

Functional Polymers in Energy Applications: Challenges and

Opportunities

10:00 A.M. -11:00 A.M. Prof. C. Retna Raj

Functional Materials for Oxygen Electrocatalysis



13:00 P.M. -14:00 P.M. Lunch

Session 8

Chair: Prof. Sarit S. Agasti

14:00 P.M. -15:00 P.M. Dr. Preeti Jain

Clean and Renewable Energy Technologies: Global Policy

Landscape and India

15:00 P.M. -16:00 P.M. Prof. Abhishek Dey

Electrochemical Water-Splitting with Bio-inspired Catalysts

16:00 P.M. -16:30 P.M. Tea break

16:30 P.M. -17:30 P.M. Dr. Rajeshwar Dongara

Catalysis for Sustainable Growth of Chemical Industry: Opportunities

and Challenges


18:00 P.M. -19:00 P.M. Special interaction with speakers

19:00 P.M. -20:30 P.M. Dinner

Friday December 1st , 2017

Programme

Session 9

Chair: Prof. Sebastian C. Peter

9:00 A.M. -10:00 A.M. Prof. Prashant V. Kamat

Quantum Dot and Perovskite Solar Cells

10:00 A.M. -11:00 A.M. Prof. Premkumar Senguvuttan

Battery Chemistries Beyond Li-ion: Opportunities and Challenges


11:30 A.M. -12:00 P.M. Tea Break

12:00 P.M. -13:00 P.M. Closing Ceremony and Prize Distribution

13:00 P.M. -14:00 P.M. Lunch

Saturday December 2nd , 2017

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Notes

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Professor Vijayamohanan K. Pillai CSIR-Central Electrochemical Research Institute

Karaikudi-630003

Tamilnadu, India

E-mail: [email protected]

Role of Redox Flow Batteries in Large scale Energy Storage

Production of affordable and clean energy for the future needs is one of the biggest challenges facing

mankind and the ability to efficiently and rapidly store electrical energy in a reversible manner to

various other forms is very important for a variety of applications. Ever since human beings learnt to

generate energy by various means there was always an unending search for th efficient storage of energy

and large scale energy storage systems are essential for load-levelling and for many other utilities. An

electrochemical energy storage system catering the needs of large level (100 kW to few MW) should

fulfill several criteria like robustness with respect to depth of discharge, performance invariance to a

large number of charge/discharge cycles, uncanny ability to quickly respond to a sudden change in

load, stack engineering capability to suit the power density, high efficiency and flexibility in design

to suit the customer’s fluctuating demand for energy. Redox flow batteries are promising in all these

aspects and many of them use abundant raw materials in combination with carbon felt as an electrode

materials and microporous polymer separators. Flow batteries are similar to fuel cells in many aspects

especially with respect to membrane function, flow-field design, thermal and electrolyte management.

The end plates and bipolar plates are also functionally similar in current collection as well as in

facilitating thermal transport as the stack size and power increases. In this lecture, I will describe recent

developments in redox flow batteries by keeping Zn-Br as a typical example using few innovative

electrode materials and electrolyte additives.

Vijayamohanan K Pillai is at present the Director of CSIR-Central Electrochemical Research Institute,

Karaikudi and may be contacted at [email protected], [email protected]. In addition to CSIR-CECRI, he

held the additional charge as Director, CSIR-NCL, Pune from 01/06/2015 to 29/02/2016.

He has received many honors and awards like The MRSI Medal, Materials Research Society of India, Bangalore

in 1996 and Chemical Research Society of India (CRSI) Bronze Medal in 2004. He is a Member of the Editorial

Board of Bulletin of Materials Science from 2005 onwards, Electrocatalysis from 2012 and Scientific Reports

(Nature Publishing Group) from 2015 and is a Fellow of the Indian Academy of Sciences, Bangalore since 2008

and recently got elected as a Fellow of the Indian National Science Academy. He has been an "Erudite visiting

professor" at School of Chemical Sciences, Mahatma Gandhi University, Kottayam since 2011 and has given

“Professor K.S.G. Doss Memorial Lecture in 2011”, “Professor Gurumurthy Mangalam Endowment Lecture,

Annamalai University” in 2012, “R.K. Barua Memorial Lecture at the Gauhati University” in 2013, “Prof.

Chelikani Chiranjeevi Endowment Lecture Award, Andhra University” in 2015, “IICT-Avon Padmashri Dr. G S

Sidhu Chemcon Distinguished Speaker Award at CHEMCON-2016” at IIT-Madras, “Prof. B. Thimme Gowda

endowment lecture 2015-16” at Mangalore University, “National Prize for Research on Energy Materials and

Devices” by Jawaharlal Nehru Centre for Advanced Scientific Research, 2016, “Prof. T. L. Rama Char Memorial

Lecture - Electrochemical Society of India, 2016” and “MRSI-ICSC Superconductivity and Materials Science

Annual Prize”, 2016.

Class 1

mailto:[email protected]



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Professor Denis Kramer Engineering and the Environment

University of Southampton

University Road, Southampton, SO17 1BJ, UK


Beyond d-band theory: Rational approaches for next generation

electrocatalysts

D-band theory, pioneered by Norskov, has been the leading design principle for advanced oxygen

reduction (ORR) electocatalysts over the last decade. Being a noteworthy success of ab-initio materials

design, the theory has also led to rational advances in catalysing other electrochemical reactions such

as ammonia synthesis, CO2 reduction and the oxidation and reduction of hydrogen to name only a few.

The application of d-band theory has seen the development of advanced alloy catalysts, which are

substantially more active than Pt for the ORR. Alloy ORR electrocatalysts, however, face substantial

stability challenges for thermodynamic reasons and I will demonstrate an alternative design approach:

the rational exploitation of electronic of metal-support interactions. I will demonstrate that the electronic

interaction between catalysts and support has bearings on the electrocatalytic properties on Pt nano-

particle properties. Changing the support from carbon to carbon-rich boron carbide leads to more

positively charged particles in electrochemical environment. As a consequence, the catalyst is less prone

to surface oxidation with beneficial implications for ORR activity under RDE conditions; activity

improves by up to 100%. At the same time, the catalyst is significantly more stable, which is attributed

to a combination of less mobility on the support surface and lower surface oxidation.

Denis Kramer works at the interface between theory and experiment to rationally design technology-enabling

materials and disruptive concepts for electrochemical energy applications. He studies in Zwickau (Germany)

before taking up a post-graduate research position at the Paul Scherrer Institut (Switzerland) in 2002, where he

developed neutron imaging methods to investigate two-phase flow in fuel cells. After graduating with a PhD in

2007 from the Technical University in Freiberg (Germany), he spend two years at the Massachusetts Institute of

Technology (USA) as a post-doctoral researcher developing Li-Ion battery materials under guidance from

Gerbrand Ceder. His interest in electrocatalysis started with an appointment in Anthony Kucernak’s group at

Imperial College London (UK) in 2009, where he worked on a project on core-shell electrocatalysts for oxygen

reduction in close collaboration with the University of Cape Town. Since 2011, he is an independent academic at

the University of Southampton and was promoted to Associate Professor in 2016. He holds an RAEng/Leverhulme

Trust Senior Research Fellowship and is Co-Director of the Centre of Doctoral Training in Next Generation

Computational Modelling. His current research interests include strong metal-support interactions, the

electrochemistry of oxide surfaces, phase stability in multi-component systems, and photonics approaches to

photo-electrocatalysis.

Class 2


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Professor Satishchandra B. Ogale Indian Institute of Science, Education and Research, Pune

Dr. Homi Bhabha Road, Pashan, Pune-411008, India


Novel Clean Energy Solutions Through Materials Innovation: Science for a

Better Tomorrow

Our ability to harvest energy efficiently from clean, green and renewable sources, and store it

effectively for subsequent use in large scale stationary or small scale mobile application sectors

will define our future in terms of sustainability and quality of life. Towards this end, new and

novel solutions based on nanotechnology and advanced functional materials are being intensely

researched around the world. Most such solutions necessarily ride upon the promise of

materials innovation involving targeted designs of a variety of materials systems, their

compositions, morphologies and architectures. The challenges lie in connecting the

fundamental science of such new materials and architectures including their low dimensional

forms with the associated quantum and surface effects to the diverse application needs of the

modern world, especially in the fields of energy and environment, and by implication health.

In this talk, after a brief introduction to this current scenario, I will discuss some interesting

principles and possibilities in this respect by deriving several examples based on the research

done in my group in the areas of sensitized and perovskite solar cells, photoelectrochemical

water splitting for hydrogen generation, CO2 reduction, and energy storage devices such as

supercapacitors, pseudocapacitors, Li/Na ion batteries using metal oxide and sulphide based

nanomaterials, and different peculiar functional forms of carbon.

Satishchandra Ogale is currently working at the Indian Institute of Science Education and Research (IISER)

Pune as Professor, Department of Physics and Centre for Energy Science. Over the past 35 years he has worked

in several fields such as high temperature superconductors, CMR manganites, Diluted Magnetic Semiconductors,

Spintronics etc. and more recently his research focus has been on clean energy harvesting (DSSC and Perovskite

Cells, Solar Hydrogen generation, CO2 reduction), storage (Li/Na Batteries and Supercapacitors) and

conservation (LEDs). He is on the Editorial Advisory Boards of high impact journals such as RSC’s Energy and

Environmental Science and Sustainable Energy and Fuels, Nature’s Scientific Reports and ACS Applied Materials

and Interfaces. He has many international collaborations (US, UK, France, Singapore, S. Korea) and has

presented several plenary/Keynote/invited talks in International Conferences. Over the years he has supervised

over 60 PhD students. He spent about 10 years at the University of Maryland, College Park, as Visiting Professor

and Senior Research Scientist, before returning to India in 2006 and joining National Chemical Laboratory,

initially as Ramanujan Fellow and Later as Chief Scientist. Prior to that he was Professor of Physics and also

Chair (1992-95), Department of Physics at Pune University. He has won several national awards/recognitions

including the INSA young scientist medal, Dr. N. S. Satyamurthy prize (IPA-DAE), B. M. Birla Prize (Birla Science

Foundation), Sir C. V. Raman prize (UGC, Hari-Om trust), MRSI medal, MRSI special silver jubilee medal etc.

He is also the elected fellow of the Indian Academy of Science and the National Academy of Science. He is also

the fellow of the Royal Society of Chemistry (FRSC).

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Professor Vivek Polshettiwar Tata Institute of Fundamental Research, Mumbai

Homi Bhabha Road, Colaba, Mumbai-400005, India


Synthesis, Formation Mechanism and Applications of Dendritic Fibrous

Nanosilica (DFNS) for Catalysts and CO2 Capture

Energy and environment are two of our critical societal challenges. The use of hybrid nanomaterials to

harvest solar energy as well as capture and convert CO2 seems to be the best way combat climate

change. We recently reported the synthesis of a new class of dendritic fibrous nano-silica (DFNS1).1-

10 Fibrous morphology observed in these nanospheres has not been seen before in silica materials.

Uniqueness of DFNS is, its high surface area is by virtue of its fibrous structure instead of pores (unlike

MCM-41 and SBA-15 silicas), and hence easily accessible.1 We also showed successful utilization of

DFNS for range of important catalytic applications such as metathesis, hydrogenolysis, oxidation,

hydrogenation, coupling reactions etc2-8 as well as for CO2 capture.9 We have also developed a new

method of fabricating active photocatalysts by TiO2 coating of DFNS.10 In this seminar, I will discuss

our results on synthesis and application fibrous nano-silica (DFNS) for confronting with climate change,

more specifically for catalysis and CO2 capture.

References:

1) (a) V. Polshettiwar, D. Cha, X. Zhang, J. M. Basset, Angew. Chem. Int. Ed. 2010, 49, 9652; (b) N. Bayal,

B. Singh, R. Singh, V. Polshettiwar, Scientific Reports, 2016, 6, 24888.

2) A. Fihri, M. Bouhrara, D. Cha, V. Polshettiwar, ChemSusChem 2012, 5, 85.

3) A. Fihri, M. Bouhrara, D. Cha, Y. Saih, U. Patil, V. Polshettiwar, ACS Catal. 2012, 2, 1425.

4) (a) M. Dhiman, B. Chalke, V. Polshettiwar, J. Mat. Chem. A. 2017, 5, 1935; (b) M. Dhiman, V.

Polshettiwar, J. Mat. Chem. A. 2016, 4, 12416.

5) V. Polshettiwar, T. C. Jean, M. Taoufik, F. Stoffelbach, S. Norsic, J. M. Basset, Angew. Chem. Int. Ed.

2011, 50, 2747.

6) M. Bouhrara, C. Ranga, A. Fihri, R. R. Shaikh, P. Sarawade, A. Emwas, M. N. Hedhili, V. Polshettiwar,

ACS Sustain. Chem. Eng. 2013, 1, 1192.

7) A. S. L Thankamony, C. Lion, F. Pourpoint, B. Singh, A. J. P. Linde, D. Carnevale, G. Bodenhausen, H.

Vezin, O. Lafon, V. Polshettiwar, Angew. Chem. Int. Ed. 2015, 54, 2190.

8) B. Singh, K. R. Mote, C. S. Gopinath, P. K. Madhu, V. Polshettiwar, Angew. Chem. Int. Ed. 2015, 54,

5985.

9) (a) B. Singh, V. Polshettiwar, J. Mat. Chem. A. 2016, 4, 7005; (b) U. Patil, A. Fihri, A. H. Emwas, V.

Polshettiwar, Chem. Sci. 2012, 3, 2224.

10) (a) R. Singh, R. Bapat, L. Qin, H. Feng, V. Polshettiwar, ACS Catalysis 2016, 6, 2770; (b) N. Bayal, R.

Singh, V. Polshettiwar, ChemSusChem, 2017, 10, 2182.

Vivek Polshettiwar after his Ph.D. in 2005 worked as a postdoc in France and USA for few years, before starting

his own independent group at KAUST in 2009. In 2013, he moved to TIFR, Mumbai as a reader and his group

here working on development of novel nanomaterials for catalysis and CO2 capture-conversion. He has published

nearly 90 articles with h-index 47 and around 8000 citations in reputed journals. He is recipient of prestigious

ORISE Research Fellowship at US-EPA and several other esteemed postdoc fellowships. He was awarded as

Top-25 cited author in 2011 by Tetrahedron and Young Scientist Award at DSL-2012. He also received Asian

Rising Star lectureship at 15th Asian Chemical Congress (ACC), Singapore (2013), from Nobel Laureate

Professor Ei-ichi Negish. In 2015, he was admitted as a Fellow of Royal Society of Chemistry (RSC), United

Kingdom and also recognized as one of the 175 Faces of Chemistry by RSC. Recently he was awarded Bronze

medal by CRSI, India and also recognized as emerging investigator-material science by RSC.

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Professor K. S. Narayan


Jakkur, Bengaluru-560064, India


Techniques to Predict Reliability and Non-performing Photovoltaic Cells

We present a range of methods and techniques to examine and probe solar cells and modules. These

techniques are very well suited to study solution processed devices, but can be used for conventional

commercially available systems also. The methods include noise spectroscopy, light beam induced

currents, luminescence and thermography based approaches. Specific examples highlighting the utility

of these techniques will be presented.

K.S.Narayan’s research activities is in the area of optoelectronics and photophysics of

macromolecular/organic/nano/hybrid materials, and device development. He obtained his MSc. Physics from IIT

(Bombay), and Ph.D. from - The Ohio State University. After his research stint at Wright Patterson Air Force

Base USA; his sustained-original and rigorous efforts over the last two and half decades at JNCASR, Bangalore

where he established an unique laboratory led to many interesting phenomena in solution processible

electronic materials. Major highlights in this period include the discovery of polymer based optical-field effect

transistors, 1-D and 2-D position sensors, vacuum free processing of solar cells, and range of strategies to

enhance perfromance of solar cells and light emitting diodes. These methods and approach are currently being

utilized for developing hybrid perovskite based devices in his laboratory. He has developed microscopic and

spectroscopic techniques specifically to understand the various optical and electrical phenomena in these low-

dimensional materials. He has also contributed to research area of these soft-electronic polymers in biomedical

arena where these materials have exhibited utility in tissue engineering and for vision prosthetic elements.

Of lately, he has developed non-contact sensing methods to pick electrical activities at cellular level length scales,

which can be scaled to tissue and whole-organ level. His other current pursuits include developing noise

measurement and scanning techniques to predict the full life cycle of photovoltaic modules. Besides this effort in

pursuing fundamental aspects of organic optoelectronic device, he is keen to translate these devices and

techniques to the commercial space.

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Professor G. K. Suryaprakash

University of Southern California

Los Angeles, CA-90007, USA


Beyond Oil and Gas: The Methanol EconomyR

Methanol, a liquid at ambient temperature, is preferable to low volumetric energy density hydrogen for

energy storage and transportation. It is also an excellent drop in fuel for internal combustion (gasoline)

and auto-ignition (diesel) engines. It is an excellent fuel for direct oxidation fuel cells. Dimethyl ether

(DME) derived from methanol is a high cetane diesel substitute and also could replace liquefied natural

gas (LNG) and liquefied petroleum gas (LPG). Methanol is a convenient feedstock to produce ethylene

and propylene that can be converted to synthetic petrochemical products. Chemical recycling of excess

carbon dioxide formed from human activities, natural and industrial sources, or even from the air can

be converted to methanol via capture followed by reductive conversion with hydrogen. Any available

energy source (preferably alternative energies such as solar, wind, geothermal, atomic, etc.) can provide

the needed energy for generating hydrogen. Direct electrochemical reduction of CO2 is also possible.

Methanol, presently produced from fossil fuel based syngas (mixture of CO and H2), can also be made

by direct oxidative conversion of natural gas or other methane sources. Even coal and biomass can be

converted to methanol through syngas. The Methanol Economy concept that was jointly developed with

the late Nobel Laureate colleague, George A. Olah is expected to solve the energy and material

problems of the world in the long run and at the same time address the issue of global warming due to

increased CO2 emissions by excessive fossil fuel use.

G. K. Suryaprakash was born in 1953 in Bangalore, India. He holds a B.Sc (Hons) from Bangalore University

and a M.Sc. from IIT, Madras. He obtained his Ph. D. in chemistry under the late Professor Olah at the University

of Southern California (USC) in 1978. He joined USC faculty in 1981 and is currently a Professor and Director

holding the Olah Nobel Laureate Chair in Hydrocarbon Chemistry at the Loker Hydrocarbon Research Institute.

His also the Chairman of the Chemistry Department at USC. His research encompasses superacid, hydrocarbon,

synthetic organic and organofluorine chemistry, with particular emphasis in the areas of energy and catalysis.

He is a Co-Proponent of the Methanol Economy Concept based on carbon dioxide capture and recycling. He co-

invented the direct oxidation methanol fuel cell. He has trained more than 120 doctoral and post-doctoral

scholars. He is a prolific author with more than 760 peer-reviewed publications holding > 60 patents. He has

published 13 books. He has received many recognitions including the American Chemical Society Awards: in

2004 for creative work in fluorine chemistry, in 2006 for his contributions to hydrocarbon chemistry and the 2006

Richard C. Tolman Award (from the Southern California section of the American Chemical Society). He received

the 2007 Distinguished Alumni Award from IIT, Madras and the 2010 CRSI Medal from the Chemical Research

Society of India. Recently, he co-shared with Olah, the inaugural 2013 $1 Million Eric and Sheila Samson Prime

Minister’s Prize for Innovation in Alternative Fuels for Transportation by the State of Israel. In 2015, he won the

Henri Moissan International Prize for excellence in Fluorine Chemistry. He is a Fellow of the AAAS, a Member

of the European Academy of Arts, Sciences and Humanities, a Fellow of the European Academy of Sciences,

Foreign Fellow of National Academy of Sciences, India and a Fellow of the American Chemical Society. He also

sits on several Editorial Boards. Professor Prakash’s book, co-authored with G. A. Olah and A. Goeppert,

“Beyond Oil and Gas: The Methanol Economy” (Wiley-VCH, 2006 and 2nd Edition, 2009, translated into

Chinese, Hungarian, Japanese, Swedish and Russian) is getting worldwide attention.

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Professor S. Sampath Indian Institute of Science

CV Raman Road, Bengaluru-560012, India


Electrocatalysis: Fundamentals and Materials Aspects

There is renewed research interest in the area of electrocatalysis particularly with respect to energy

conversion- and storage- related redox reactions. Several catalysts based on different groups of

materials such as chalcogenides, ceramic nitrides and carbides, oxides are studied besides molecular

catalysts. The present lecture will be aimed at discussing fundamentals of interfaces encountered in

electrochemical systems followed by various aspects that are implicated for the catalytic activity. This

includes electrode as well as electrolyte aspects. Towards the latter half of the lecture, certain electrode

materials based on chalcogenides and nitrides / carbides will be briefly discussed.

S. Sampath Completed his B. Sc. in Chemistry from Madurai Kamaraj University, in 1981. He

did his M. Sc. in Chemistry in the year 1983 from Madras University. He pursued his PhD on

Electrochemistry, 1991 from IIT Madras. Thereafter he worked as Postdoctoral Associate in

Osaka University, Japan (1992-1994) and Hebrew University, Israel (1994 -1997). Now he has

been working as professor in the Department of Inorganic and Physical Chemistry, Indian

Institute of Science. The main focus of his research is to understand interfacial properties

involving novel materials and modified surfaces. They use a combination of spectroscopy,

electrochemistry and microscopy to understand the interfacial properties. Coupled in -situ

techniques based on electrochemical FTIR, Raman electrochemistry are routinely used to

understand various aspects .

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Professor Arumugam Manthiram University of Texas at Austin

204E Dean Keeton Street, C2200, Austin, Texas-78712, USA


Electrical Energy Storage: Next Generation Battery Chemistries

Rapid increase in global energy use and growing environmental concerns have prompted the

development of clean, sustainable, alternative energy technologies. Renewable energy sources, such as

solar and wind, offer a potential solution, but they will not have the anticipated impact unless viable

electrical energy storage technologies to efficiently store and utilize the electricity produced from these

intermittent sources are established. Electrical energy storage is also critical for the electrification of

transportation sector. Rechargeable batteries are prime candidates for electrical energy storage, but their

widespread adoption requires optimization of cost, cycle life, safety, energy density, power density, and

environmental impact, all of which are directly linked to severe materials challenges. After providing a

brief account of the current status of lithium-ion technology, this presentation will focus on the

development of new materials, alternative cell chemistries, and novel cell configurations to realize next-

generation of rechargeable batteries. Particularly, the challenges and approaches of transitioning from

the current insertion-compound electrodes in lithium-ion batteries to new conversion-reaction

electrodes with multi-electron transfer to increase the energy density and lower the cost will be

presented. Specifically, lithium-ion technology based on high-nickel layered oxides as well as post

lithium-ion technologies based on earth-abundant elements, e.g., sulfur, oxygen, sodium, and zinc, and

mediator-ion solid electrolytes will be discussed. Finally, the pros and cons of various emerging battery

technologies, the gaps and bottlenecks that need to be addressed, and the near-term and long-term

perspectives will be pointed out.

Arumugam Manthiram graduated from Madurai University with a B.S. degree in chemistry in 1974 and a M.

S. degree in chemistry in 1976. He graduated from the Indian Institute of Technology Madras with a Ph.D. degree

in chemistry in 1980. After being a senior research fellow at the Indian Institute of Science in Bangalore for one

year, he worked as a lecturer at the Madurai Kamaraj University for four years and as a postdoctoral researcher

with Professor John Goodenough at the University of Oxford in England for one year. He joined the University

of Texas at Austin (UT-Austin) as a postdoctoral researcher in 1986 and became assistant professor in the

Department of Mechanical Engineering in 1991. He is currently the Cockrell Family Regents Chair in

Engineering and the Director of the Texas Materials Institute and the Materials Science and Engineering

Program at UT-Austin. Dr. Manthiram is the Regional (USA) Editor of Solid State Ionics. He is a Fellow of six

professional societies: Materials Research Society, Electrochemical Society, American Ceramic Society, Royal

Society of Chemistry, American Association for the Advancement of Science, and World Academy of Materials

and Manufacturing Engineering. He received the university-wide (one per year) Outstanding Graduate Teaching

Award in 2012, the Battery Division Research Award from the Electrochemical Society in 2014, the Distinguished

Alumnus Award of the Indian Institute of Technology Madras in 2015, and the Billy and Claude R. Hocott

Distinguished Centennial Engineering Research Award in 2016.

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Professor Ronny Neumann

Weizmann Institute of Science

Rehovot 76100, Israel


The Importance of Electron Transfer in Polyoxometalate Catalyzed

Reactions: Photo/electrochemical Reduction of CO2 and Electron Transfer

Oxidation Hydrocarbons

Two very different examples will be given on the Importance of electron transfer in polyoxometalate

catalyzed reactions. In the first example we discuss the photochemical reduction of CO2 to CO that

typically requires two electrons and two protons that are usually derived from sacrificial amine donors.

Now we present new catalytic systems that combine polyoxometalates such as H3PW12O40, as an

electron and proton donor/acceptor or “electron shuttle” with rhenium molecular catalysts. We show a

cascade of transformations, where (1) the polyoxometalate reduced by molecular hydrogen, alkanes or

electrochemically at low potential, only 1.3 V versus Ag/Ag+, and (2) visible light, 60 W tungsten lamp,

is used to transfer electrons from the polyoxometalate to the rhenium catalyst active for the CO2

selective photoreduction of CO2 to CO. The transformation proceeds via visible light excitation of the

electrochemically reduced H3PW12O40 that leads to electron transfer to the Re catalyst.

In the second example, we demonstrate that hydrocarbons can be oxidized using a combination of a

polyoxometalate and novel photochemical and electrochemical methods. Examples of oxidation

reaction include the hydroxylation of benzene and alkanes.

Ronny Neumann received his Ph.D. in Catalysis and Organic Chemistry from the Hebrew University of

Jerusalem in 1986 on the use of "Polyethylene Glycol as a Phase Transfer Catalyst." After post-doctoral research

with John Groves at Princeton University working in the area of incorporation of porphyrins in membranes he

returned to the Hebrew University of Jerusalem in 1988 where he started his independent career mostly dealing

with catalytic oxidations with emphasis on sustainable transformations and mechanistic studies using

polyoxometalates as catalysts. In 1999 he moved to the Weizmann Institute of Science, where he has been

department head since 2005. In addition to his activity in the area of sustainable oxidation his present research

interests have evolved to include research related to sustainable energy resources using also photochemical and

electrochemical reaction. A list of present activities are: Catalysis and Catalytic Processes. Catalytic Oxidation

with Emphasis on Hydrocarbons. Activation of Molecular Oxygen and other Oxygen Donors. Photoreduction of

Carbon Dioxide. Polyoxometalates. Inorganic-Organic Hybrid Materials. Organic Chemistry in Water. Catalytic

Formation of Synthetic Fuels from Carbohydrates. Ronny Neumann has won the Israel Chemistry Society Award

for Outstanding Scientist (2014); he is an Elected Member of the Academia Europae (Academy of Europe, 2013);

he holds the Rebecca and Israel Sieff Professorial Chair of Organic Chemistry and has received Israel Chemical

Society Prize for Excellence (Young Scientist Award, 1992) He has published over 220 peer reviewed articles,

has made numerous contributions to scientific books and holds 10 patents.

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Professor Umesh Waghmare




Materials for energy conversion and storage: First principle theory and

simulations

We present our recent first-principles theoretical analysis of fundamental properties and applications

of materials in processes that catalyse energy conversion and facilitate energy storage. Our analysis

of solid solution of 2-D h-BN and graphene points out the limitation on their use in photo-catalytic

splitting of water to generate hydrogen using solar energy [1]. However, Carbon and Nitrogen-rich

2-dimensional BC7N2 is shown to have the electronic structure suitable for electro-catalysis of water

splitting [2]. We then present a detailed analysis that led us to define site-specific electronic and

atomic descriptors of the catalytic activity of B and N-doped graphene and a simple predictive model

based on these descriptors. Using these descriptors, we identify the most optimal site of B and N-

doped graphene for oxygen reduction reaction, relevant to cathodes in fuel cells [3]. After pointing

out subtle differences in different structural forms of MoX2 compounds [4], we finally present our

theoretical prediction that a hetero-structure of Ti2CO2 and MoS2 has the potential for

application as a cathode with high power and energy density in Mg ion batteries [5].

References:

1.Shirodkar Sharmila N, Waghmare UV, Fisher TS, Grau-Crespo R, Physical Chemistry Chemical

Physics 17, 13547-13552 (2015).

2.Chhetri M, Maitra Somak, Himanshu Chakraborty, Waghmare UV, C. N. R. Rao, Energy &

Environmental Science 9, 1, 95-101 (2016).

3. Sinthika S, UV Waghmare, R Thapa, Journal of American Chemical Society (Under Review).

4. Anjali Singh, Sharmila Shirodkar N, Waghmare UV, 2D Materials 2, 035013 (2015).

5. Assem K Kshirsagar and U V Waghmare, in preparation (2017).

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Professor Aninda J. Bhattacharya

Indian Institute of Science



Electrochemical Microbial Technologies Exoelectrogenic microorganisms have the capability of transporting electrical charges to regions

outside the cell. Waste, which are cheap and relatively abundant source of electrons, provide ideal

opportunities for the exoelectrogenic microorganisms to harness sustainable energy and produce

chemicals. The talk will highlight the fundamentals of microbial technologies and it’s key advances in

the areas of generation of biofuels, hydrogen gas, methane, and other valuable inorganic and organic

chemicals. Key challenges such as their efficiency, scalability, system lifetimes, and reliability towards

the implementation of microbial systems and their comparisons with similar renewable energy

technologies will also be discussed.

Aninda J. Bhattacharyya completed his M. Sc. from Calcutta University, Kolkata, India. He

pursued his Ph.D. from Condensed Matter Physics Research Centre (CMPRC), Jadavpur

University, Kolkata, India. Now, He has been working as Professor in Solid State and Structural

Chemistry Unit, Indian Institute of Science. The broad research areas of his group are in the

fields of Experimental Physical and Materials Chemistry. The group focuses on studies related

to diverse electrochemical processes and specializes in the chemical design of novel and

advanced multifunctional materials having very high relevance to energy, environment and

biological applications.

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Professor Tom Nilges Technical University of Munich

Lichtenbergstr. 4, 85747 Garching, Germany


Synthesis, characterization and application of low-dimensional

semiconductors

Group 15 elements starting with phosphorus gained reasonable interest in the past few years due to the

discovery of phosphorene or antimonene the few-layer to mono-layer material of black phosphorus or

antimony. An emerging interest has developed in phosphorene and related compounds because of their

intriguing predicted and observed properties. In this lecture we will touch historical issues of

phosphorus starting with synthesis issues and leading to the availability of the important starting

material for phosphorene, the orthorhombic, layered black phosphorus allotrope. After a short excurse

in the complex polymorphism of phosphorus, including studies of the stability of the allotropes and

quantum-confined forms of this element, we will discuss the broad range of applications and properties

found for 2D materials. Examples are few-layer black phosphorus, phosphorene, arsenic, and antimony-

substituted allotropes of phosphorus. The range of properties and applications will envision batteries,

field effect transistors, gas sensors and visible and infrared light detection. A surprising predicted

feature of phosphorene is the thermoelectricity expected for heavily-doped compounds.

Leaving the 2D materials based on the elemental phosphorus behind we focus or interest on selected

examples of binary and ternary phosphides and polyphosphides, reflecting the extraordinary structure

chemistry of this class of materials. Examples of extremely high ion mobility or mechanical flexibility

will be highlighted leading to new functional low-dimensional semiconductors for emerging electronic

applications, sensors or energy conversion purposes. After this lecture the audience will have gained a

brief overview on recent developments in materials science and solid state chemistry connected with

main group 15 elements.

Tom Nilges studied chemistry at the University of Siegen, Germany, from 1992 to 1998. He started his PhD at

the department of Inorganic Chemistry in the groups of Prof. Deiseroth and Prof.Pfitzner. In 2001 he graduated

in Inorganic and Solid State Chemistry working on solid ion conducting copper argyrodites and silver

thiometalates. He followed Prof. Pfitzner at the University of Regensburg to start his habilitation. After 3 years

he moved to the University of Münster, Germany to join the Collaboartive Research Center SBF 458 at this

university. He finished his Halbilitation and achieved the Venia Legendi for Inorganic Chemistry in 2007. Short

after, in 2009 he was invited to become a guest professor at the University of Bordeaux, France and he worked

at the CRNS institute for Energy Materials at Bordeaux. Right after the return to Germany he became a professor

for ‘Synthesis and Characterization of Innovative Materials’ at the Technical University Munich in 2010. In 2012

he received a call on a full-professorship for Inorganic Chemistry at the University of Ulm, Germany. Prof. Nilges

work is focused on materials for energy conversion and storage, namely thermoelectrics, solid and polymer based

ion conductors, low-dimensional semiconductors and main group chemistry. Main findings are the effective,

simple and low-cost synthesis of black phosphorus, the precursor phase of phosphorene or the first mixed-

conducting, pnp-switchable semiconductor. Recently, the Nilges group reported on the first atomic-scale,

inorganic double helix compound SnIP. Prof. Nilges authored more than 120 papers, patents and book chapters

and graduated almost 20 PhD’s in the last 7 years.

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Dr. Prabeer Barpanda Indian Institute of Science



Development of high energy density sodium battery cathode materials

Electrochemical energy storage is the most pragmatic approach to store energy, where secondary

batteries are front runner players. Li-ion batteries have realized unprecedented commercial success with

applications ranging from electronic gadgets to automobiles and grid storage. Following the success of

Li-ion batteries, material chemists have explored various post Li-ion technologies such as Na-ion, K-

ion, Li/Na-S and Li/Na-air batteries. Owing to their abundance and operational similarity, sodium-ion

batteries have gained significant attention to develop economic stationary batteries. Cathode (or the

positive insertion material) form the core of batteries, which should deliver high energy density. The

current talk will discuss few case studies and strategies to develop novel metal oxides as well as

polyanionic framework cathode insertion materials with high energy density.

Prabeer Barpanda obtained his B. Engg. (Ceramic Engineering, 2002) from National Institute of Technology

Rourkela followed by an M. Phil. degree (Materials Modeling, 2004) from the University of Cambridge, UK and

Ph. D. (Materials Science and Engineering, 2009) from Rutgers University, New Jersey, USA. He was a

postdoctoral researcher in the Universite de Picardie Jules Verne (France) for two years (2009-2010). With a

JSPS Fellowship, he moved to Japan to for his second postdoctoral tenure at the University of Tokyo during 2011-

2012 followed by working as a senior researcher with joint affiliation to the University of Tokyo and Kyoto

University. After returning back to India in late 2013, he has been working as an Assistant Professor in Materials

Research Centre of Indian Institute of Science. He is directing Faraday Materials Laboratory focusing research

effort on secondary battery materials and inorganic materials chemistry. He has received several awards such as

ISE Prize for Applied Electrochemistry (ISE, Switzerland), ECS Young Investigator Award (ECS, USA), H.H.

Dow Award (ECS, USA), Ross Coffin Purdy Award (ACerS, USA), INSA Medal for Young Scientist (INSA, India),

NASI Young Scientists Platinum Jubilee Award (NASI, India) and IEI Young Engineer Award (IEI). Till date, he

has published over 65 research articles, 25 conference proceedings, 3 world patents and 2 book chapters.

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Professor Davide Donadio University of California, Davis

1 Shields Ave, Davis, CA 95616, USA


Heat transport and dissipation at the nanoscale from molecular

dynamics simulations

Heat is a form of energy of which we still have relatively poor control: overheating during operation is

a serious issue for electronic devices, and in any energy conversion process a large amount of thermal

energy is wasted in the environment. Better control of thermal energy, starting from the microscopic

scale, would allow us to target efficiently major technological issues, such as heat management in

information and communication technology and in photovoltaics, as well as thermoelectric energy

harvesting. The optimization of materials, devices and processes with respect to heat management stems

from a better understanding of phonon transport at the molecular and nanoscale.

In this lecture, I will provide the basics of linear response theory, and discuss how to calculate the

thermal conductivity and phonon transport properties from equilibrium and non-equilibrium molecular

dynamics simulations. I will illustrate cases in which predictive molecular simulations shed light on

thermal energy transport in nanostructured materials and in molecular systems, thus suggesting viable

optimization pathways for thermoelectric material and devices. Finally I will address the case of energy

relaxation in molecular liquids, and discuss how heat dissipation entangles to molecular energy

relaxation in pump-probe experiments.

Davide Donadio completed his M.S. in Physics from University of Milano (1998) He received

Young Scientist Award from Italian Institute f or the Physics of Matter (1998). He pursued his

Ph.D. in Materials Science from University of Milano (2003). He became Leader of an

independent Max Planck Research Group (2010 -2015) and Staff scientist at UC Davis (2007 -

2009). He Appointed to UC Davis facu lty (2015). Currently he is working as Staff scientist at

UC Davis (2007-2009). Prof. Donadio and his group currently focusing on (bio -)templated

growth and assembly of nanostructures and hierarchical materials, reactions at interfaces and

in solution, nano-phononics and thermoelectric materials, and thermal transport in hybrid

nanostructures and at hard/soft matter interfaces.

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Dr. Ramakrishna R Sonde

Thermax Limited

14 Mumbai-Pune Highway, Wakdewadi, Pune-411001, India


Decarbonised fossil as an important tool in the distributed energy

landscape: Hybrid RE and decarbonised fossil technologies

The evolution of future energy scenario and its prediction is an highly uncertain task and runs the risk

of being off the mark due to high rate of disruptions taking place in this space . Clear trends however

are that renewable energy will become the backbone and this will manifest itself in the distributed and

decentralised To make the distributed energy a autonomous energy needs smart integration of

renewables ( say solar and wind which are infirm sources) with fossil fuels. Battery alone will not bring

the necessary autonomy. And fossil fuels will then have to be hybridised after they are decarbonised

which brings to focus the major need for converting solid fossil ( predominantly coal) to calorific driven

liquid fuels with lower carbon intensity ( say methanol or ethanol) and then use reforming technologies

at the distributed scale to generate hydrogen for end use conversion via fuel cell/ micro turbines. A

multiple conversions need smart catalytic driven systems with highly energy integrated approaches.

Methanol economy will kick start this activity in India and CO2 capture using renewable hydrogen will

make this a sustainable solution for India. With e- mobility becoming a reality, knowledge that solar

alone can not meet this humongous requirement, chemical route for conversion of solid fuels to

hydrogen will bring transformational paradigms. The talk dwells in depth on all these aspects with case

studies relevant to India.

Ramakrishna R Sonde started his early career working as a scientist in the country’s top research institution

namely Bhabha Atomic Research Center (BARC). He topped the entire batch of scientists and engineers and was

awarded Dr. Homi Bhabha Gold Medal. In the formative part of his career, he was deeply involved in nuclear

energy research, developing technology on Heavy Water Plants while interphasing with various scientific,

academic and research institutions. He completed his PhD during his stint at Atomic Energy Commission (AEC)

in the field of isotope separation simulation sciences. He was awarded for his contribution to nuclear energy and

science a Gold Medal during the Golden Jubilee award in the hands of then Prime Minister. Subsequently after

23 years of working in Atomic Energy, he was invited to join as Executive Director to develop new energy

technologies in the country’s premier power generator namely National Thermal Power Corporation (NTPC), a

mega coal power sector undertaking with over 75,000 MW of power plants to its credit. During his stint there, he

worked on starting new activities in clean coal technologies which included low grade heat conversion energy,

Integrated Gasification Combined Cycle (IGCC), carbon capture and sequestration and various technologies

crucial for energy efficiency and improving the plant performance. In his current assignment as Executive Vice

President and a member of the Executive Council of Thermax, his main thrust of activities is bringing innovation

and enhance knowledge in all the existing technologies within Thermax while also involved in the developing new

technologies in the field of energy, environment and water. He is a Fellow of National Academy of Engineers

(FNAE), member on the CII / FICCI Consortium for Power & Renewable Energy, member of DST Committee on

Water and many other committees. He has been awarded the Dr. M. Vishweswarayya Gold Medal for standing

first in the University of Mysore, Dr Homi Bhabha Gold Medal during the Golden Jubilee celebrations of BARC

in the year 2006 by Hon’ble Prime Minister for his outstanding contribution in the nuclear field, Dr. Doraswami

IIChE Medal and Gold Medal from the Indian Nuclear Society (INS).

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Dr. Kanishka Biswas Jawaharlal Nehru Centre for Advacnced Scientific Research



Ultra-low thermal conductivity in complex chalcogenides for high

performance thermoelectric energy conversion One of the fundamental challenge in developing high-performance thermoelectric materials has been to

achieve low lattice thermal conductivity (κL). The exploration of new materials with intrinsically low

κL along with a microscopic understanding of the underlying correlations among bonding, lattice

dynamics and phonon transport is fundamentally important towards designing promising thermoelectric

materials. The origin of lattice anharmonicity and the ensuing ultralow κL in the I-V-VI2 chalcogenides

such as AgSbSe2, AgBiSe2, AgBiS2 and AgBiSeS has been traced to the electrostatic repulsion between

the stereochemically active ns2 lone pair of group V cation and the valence p-orbital of group VI anion.1

InTe [i.e. In+In3+Te2], a mixed valent compound, exhibit an ultralow κL, which manifests an intrinsic

bonding asymmetry with coexistent covalent and ionic substructures.2 The phonon dispersion of InTe

exhibits, in addition to low-energy flat branches, weak instabilities associated with the rattling

vibrations of In+ atoms along the columnar ionic substructure. These weakly unstable phonons originate

from the 5s2 lone pairs of adjacent In+ atoms and are strongly anharmonic, which scatter the heat-

carrying acoustic phonons through phonon-phonon interactions. Similarly, a Zintl compound, TlInTe2,

also exhibit ultralow κL due to low energy ratting modes of weakly bound Tl.3 AgCuS exhibits ultra

low κL and it composed of softly coupled cationic and anionic substructures, and undergoes a transition

to a superionic phase with changes in the substructure of mobile ions with temperatures.4 Electronic

density of states and phonon dispersion reveal that the rigid sulphur sublattice is primarily responsible

for the electronic charge transport, whereas soft vibrations and mobility of Ag/Cu ions are responsible

for the ultra-low thermal conductivity. Formation of layered intergrowth nanostructures in solid matrix

or in the form of 2D heterostructure nanosheets by kinetic synthesis can also lead to ultralow κL.5, 6

References:

1. Guin, S. N.; Chatterjee, A.; Negi, D. S.; Datta, R. and Biswas, K. Energy Environ. Sci. 2013, 6, 2603.

2. Jana, M. K.; Pal, K.; Waghmare, U. V. and Biswas, K. Angew. Chem Int. Ed, 2016, 55, 7792.

3. Jana, M. K.; Pal, K.; Warankar, A.; Mandal, P.; Waghmare, U. V. and Biswas, K. J. Am. Chem.

Soc., 2017. 139, 4350.

4. Guin, S. N.; Pan, J.; Bhowmik, A.; Sanyal, D.; Waghmare, U. V. and Biswas, K. J. Am. Chem. Soc.,

2014, 136, 12712.

5. Banik, A.; Vishal, B.; Perumal, S.; Datta, R. and Biswas, K. Energy Environ. Sci. 2016, 9, 2011.

6. Chatterjee, A; Biswas, K. Angew. Chem. Int. Ed., 2015, 54, 5623.

7. Banik, A.; Biswas, K. Angew. Chem. Int. Ed., 2017 (accepted).

Kanishka Biswas obtained his MS and Ph.D degree from the Solid State Structural Chemistry Unit, Indian

Institute of Science (2009) under supervision of Prof. C. N. R. Rao and did postdoctoral research with Prof.

Mercouri G. Kanatzidis at the Department of Chemistry, Northwestern University (2009–2012). He is an

Assistant Professor in the New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research

(JNCASR), Bangalore. He is pursuing research in solid state inorganic chemistry of metal chalcogenides,

thermoelectrics, topological materials, 2D nanosheets and water purification. He has published 90 research

papers, 1 book and 4 book chapters. He is an Young Affiliate of The World Academy of Sciences (TWAS)

and an Associate of Indian Academy of Science (IASc), Bangalore, India. He is also recipient of Young Scientist

Medal-2016 from Indian National Science Academy (INSA), Delhi, India and Young Scientist Platinum Jubilee

Award-2015 from The National Academy of Sciences (NASI), Allahabad, India. He is recipient of IUMRS-MRS

Singapore Young Researcher Merit Awards in 2016. He is recipient of Materials Research Society of India

Medal in 2017.

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Professor Swaminathan Sivaram Indian Institute of Science Education and Research

Dr Homi Bhabha Road, Pune-411008, India


Functional Polymers in Energy Applications: Challenges and

Opportunities Functional polymers are invisible components of many devices used for generating and storage of

renewable energy. Examples are hydrogen fuel cells, organic photovoltaic devices and lithium batteries.

Polymers were earlier exploited for their insulating or dielectric properties in many of these

applications. However, in recent times, it is their functional properties that have made these materials

attractive in these applications. Polymers provide the necessary insulating barrier between the anode

and the cathode in these devices; however, they also facilitate selective proton and lithium ion transport,

light harvesting and conversion to energy as well as act as efficient acceptors for cations in the anode

part of a battery system. Polymers have become critical to both the efficiency of such devices as well

as safety in their operation. It is, therefore, not surprising that considerable amount of current research

is devoted to the identification of suitable polymer substrates, the ability to transform them into

functional materials, through chemical and physical methods, as well as better understand the

relationship between polymer structure, function and device performance. Functional polymers are

poised to play a significant role in the emerging energy generation and storage devices

This lecture will provide an overview of this area of polymer science in terms of nature of polymers

that are of interest and their structure function relationship. Methods of modifying the polymers, both,

in bulk and at surfaces, will be discussed in relation to their performance in specific devices. The

concept of porosity in polymers will be introduced to gain a better appreciation of ion mobility across

polymer membranes. Some recent results from the author’s laboratory in the synthesis of polymers with

intrinsic microporosity as well as porous high temperature resistant polymers will be discussed in

applications as separators for lithium ion battery. Identification of an efficient separator polymer

material for lithium-sulfur battery is still a challenge. Some early understanding of how to design

functional porous polymers that can facilitate lithium ion transport and at the same time inhibit the

transport of polysulfide ion will be illustrated. Some early results on the use of functional polymers for

use as anodes in lithium ion battery will be presented.

Dr. Sivaram is an INSA Senior Scientist and Honorary Professor at the Indian Institute of Science Education and

Research, Pune, India. Prior to this he held the position of CSIR Bhatnagar Fellow (2010-15) and J.C. Bose

National Fellow of the Department of Science and Technology (2007-15) at CSIR-NCL. He served as the eighth

Director of National Chemical Laboratory (NCL) from 2002-10. An alumnus of IIT-Kanpur, he received his PhD

in Chemistry from Purdue University, USA. He was a Research Associate at the Institute of Polymer Science,

University of Akron, and USA before returning to India to pursue his professional career. Dr. Sivaram is an elected

Fellow of all the learned academies of science and engineering in India. He is also an elected Fellow of the

Academy of Sciences for the Developing World, Trieste, Italy (TWAS), Fellow of the International Union of Pure

and Applied Chemistry (IUPAC) and Royal Society of Chemistry, UK.He has lectured widely around the world

and has been Visiting Professor at the University of Bordeaux, France, Free University of Berlin, Germany. Indian

Institute of Technology, Mumbai, King Abdulla University of Science and Technology, Saudi Arabia and H.A.

Morton Distinguished Professor of Polymer Science at the University of Akron, Ohio, USA He has mentored the

Ph.D. thesis of 36 students, over a dozen post-doctoral fellows and published over 210 papers in peer reviewed

scientific journals. He is cited as an inventor in 49 granted European US as well as 52 Indian patents. He has

edited two books and authored one book. Dr. Sivaram is a member of the Scientific Advisory Boards of several

companies in India and also serves on the Management Board of five listed and one un-listed company in India

Dr. Sivaram's research interest concerns polymer synthesis, surface chemistry of polymers, porous polymers for

energy related applications, biodegradable polymers, organic-inorganic hybrids, nanocomposites and structure-

property relationship in polymers.

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Professor C Retna Raj Indian Institute of Technology, Kharagpur

Kharagpur-721302, West Bengal, India


Functional Materials for Oxygen Electrocatalysis

References:

1. (a) N. Kobayashi, Oxygen Electrocatalysis, in Encyclopedia of Electrochemistry, Wiley, 2007. (b) C.

Wei, Z. Feng, G. G. Scherer, J. Barber, Y. Shao-Horn, and Z. J. Xu, Adv. Mater. 2017, 29, 1606800.

2. (a) S. Ghosh and C.R.Raj, J. Phys. Chem. C 2010, 114, 10843. (b) S. Ghosh, R.K Sahu and C R. Raj,

Nanotechnology 2012, 23, 385602. (c) B.K. Jena and C.R. Raj J. Phys. Chem. C 2008, 112, 3496. (d) S.

Ghosh, R.K Sahu and C R. Raj J. Mater. Chem., 2011, 21, 11973. (e) S. Ghosh, and C R. Raj Catal. Sci.

Technol., 2013, 3, 1078. (f) S. Ghosh, S. M. and C. R. Raj, J. Mater. Chem. A, 2014, 2, 2233. (g) S. Bag,

K. Roy, C. S. Gopinath, and C. R. Raj, ACS Appl. Mater. Interfaces 2014, 6, 2692. (h) R. K. Bera, P.

Bhunia, S. Chakrabartty, and C. R. Raj, ChemNanoMat 2015, 1, 586. (i) J. Chem. Sci. 2016, 128, 339.

(j) C. R. Raj, A. Samanta, S. H. Noh, S. Mondal, T. Okajima and T. Ohsaka, J. Mater. Chem. A, 2016,

4, 11156.

C Retna Raj completed his PhD in Chemist ry from Madurai Kamaraj University (1998). Then

he became Postdoctoral Fellow in Tokyo Institute of Technology Japan (1998 -2002). Thereafter

in 2002 he joined as Assistant Professor in IIT Kharagpur. In the year of 2014 he became

professor of IIT Kharagpur. He received so many awards like ISEAC 2010 Eminent Scientist

Award and CRSI Bronze Medal 2013. Prof. Raj and his group works on developing new

materials for amperometric sensing, oxygen reduction , hydrogen & oxygen evolution reactions

and energy storage including supercapacitors and metal -air battery .

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Dr. Preeti Jain

Sabic

Gurgaon, Hariyana, India


Clean and Renewable Energy Technologies: Global

Policy Landscape & India

Climate change is certainly one of the most defining challenge of our times.

Considering its detrimental impacts like extreme weather conditions (amplified

incidents of droughts, flooding; extreme weather conditions etc.); it is imperative

for global community to address this issue. Under UNFCCC Paris Accord (2016);

more than 150 countries committed to cap their emissions for keeping global

warming below 2°C. Nations under this charter pledge to mitigate their emission

in accordance to their INDCs (Intended National Determined Contributions)

through Adaption and Mitigation strategies.

While adaptation deals with enhancing investments for the sectors vulnerable to

climate change; mitigation predominantly deals with enhancing the share of

renewable energy, promoting of clean energy technologies; enhancing energy

efficiency etc. Besides, Energy Security; a subject of prodigious important for any

growing economy including India; do call in for actions to diversify its energy

basket and augment share of renewables.

In this context, the role of diligently structured Policies is of cardinal importance;

which in turn is one of the most distinct evidence of commitment from

governments. Policy push is vital for renewable sector to stimulate investments;

research & commercialization endeavors; till they reach a tipping point. This

presentation will look into the global policy frameworks aiming at the fast

deployment of clean and renewable energy technologies & how India strategize to

meet its renewable energy objectives and climate commitments through policy

push.

Preeti Jain is currently Lead for Government Affairs & Business Development for SABIC in S. Asia. In her current

role she is responsible for managing Government Relations and Business Development strategies to advance

key goals and business interests of SABIC in the region. Earlier Dr. Jain worked with Federation of Indian

Petroleum Industry; A Leading Policy Think Tank in India to promote interests for Oil & Gas companies and

assist policy formulation. During her tenure with HART Energy; A US Consulting; Jain gained experience in

international Oil & gas research advisory with focus on energy markets; refining; supply-demand outlook in Asia

in the light of policy directives. A scientist by training she has pioneered research projects on biofuels;

emissions and air during her employment with Indian Oil Corp. Ltd. A Fulbright Alumna from US, DOE, Dr. Jain

has about 40 publications and various awards to her credit.

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Professor Abhishek Dey Indian Association for the Cultivation of Science

2A&2B Raja S. C. Mullick Road, Kolkata-700032, India


Electrochemical Water Splitting with Bio-Inspired Catalysts

We need clean energy and clean water; there is no denying that. H2 and O2 based energy systems are

hailed to be clean. To wit; the H2 and O2 when combined will release energy and water as well. A

process like that can provide clean energy and water to all (the motto!). There are however several key

obstacles to cross before such a system can be realized. The biggest one, undoubtedly, is developing

catalysts that are capable of facilitating the two half reactions i.e. H+ + e- ½ H2 and H2O - 2e- ½

O2 + 2H+. The catalysts are required to be 1) Cheap, 2) efficient and should work unabated under most

daunting circumstances (chemically speaking!). At IACS our group has been heavily invested in

electrochemical water splitting in to its elements H2 and O2 adhering to these criteria. Using a

combination of synthesis (tireless fun), self-assembly (organized fun), spectroscopy (colorful fun) and

electronic structure function correlations (quantized fun) our group has been successful in producing

some remarkable catalysts for the purpose. These catalyst, designed using the principles laid out in

Nature, are derived from cheap materials (mostly) and can produce H2 and O2 from water using

electrical energy (socket and solar) at very high rates. While these may not generate trillion dollar

business (yet!), the journey so far has been very encouraging and humbling. The talk will highlight the

milestones reached along with a healthy serving of chemical details that were necessary to get there.

Abhishek Dey was born and brought up in Calcutta, India. He did his PhD on X-Ray Absorption Spectroscopy

from Stanford University. Currently he is a scientist at IACS, Kolkata. He is an Inorganic chemist interested in

reaction mechanisms catalyzed by inorganic molecules/materials and believes in interception and interrogation

based innovations. He has served as an editorial advisory board member in Inorganic Chemistry, ACS Catalysis,

Chemical Communications and Journal of Biological Inorganic Chemistry. He is currently an associate editor in

ACS Catalysis. He likes to describe himself as an ordinary civil servant doing his duty.

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Dr. Rajeshwar Dongara SABIC, Bangalore

Catalysis for Sustainable Growth of Chemical Industry: Opportunities and

Challenges

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Professor Prashant V Kamat

University of Notre Dame

Notre Dame, IN 46556, USA


Quantum Dot and Perovskite Solar Cells The abundant light energy that we receive from the sun can be readily converted into electrical energy

or chemical energy. While silicon solar cell technology is becoming competitive in power generation,

new advanced materials are needed to meet the clean energy demand. Recent advances in

nanotechnology have championed many new materials to capture and convert light energy.

Semiconductor nanostructures such as quantum dots and metal halide perovskites with tunable

photoresponse can capture the visible and near IR photons quite effectively. Assembling semiconductor

nanostructures on electrode surfaces in a controlled fashion is an attractive approach for designing next

generation solar cells. The key advantage of semiconductor nanostructures lies in designing thin film

solar cells with low temperature processing. These advantages significantly decrease the energy

payback time since less energy is consumed (and hence a lower carbon footprint) during their

manufacture. Thin film solar cells are now considered as the potential contender for photovoltaics. Light

induced charge carrier generation and transport across interfaces which are important in the operation

of solar cells will be discussed.

References:

1. Kamat, P. V.; Christians, J. A.; Radich, J. G., Quantum Dot Solar Cells. Hole Transfer as a Limiting Factor

in Boosting Photoconversion Efficiency. Langmuir 2014, 30, 5716–5725.

2. Manser, J. S.; Saidaminov, M. I.; Christians, J. A.; Bakr, O. M.; Kamat, P. V., Making and Breaking of

Lead Halide Perovskites. Accounts of Chemical Research 2016, 49, 330-338.

3. Manser, J. S.; Christians, J. A.; Kamat, P. V. Intriguing Optoelectronic Properties of Metal Halide

Perovskites. Chem. Rev. 2016, 116, 12956–13008.

4. Hoffman, J. B.; Schleper, A. L.; Kamat, P. V., Transformation of Sintered CsPbBr3 Nanocrystals to Cubic

CsPbI3 and Gradient CsPbBrxI3–x through Halide Exchange. J. Am. Chem. Soc. 2016, 138, 8603–8611.

5. Draguta, S.; Sharia, O.; Yoon, S. J.; Brennan, M. C.; Morozov, Y. V.; Manser, J. M.; Kamat, P. V.;

Schneider, W. F.; Kuno, M. Rationalizing the light-induced phase separation of mixed halide organic-

inorganic perovskites. Nat. Commun. 2017, 8, Article No. 200 (DOI: 210.1038/s41467-41017-00284-

41462).

6. Yoon, S. J.; Kuno, M.; Kamat, P. V. Shift Happens. How Halide Ion Defects Influence Photoinduced

Segregation in Mixed Halide Perovskites. ACS Energy Lett. 2017, 1507-1514.

Prashant V. Kamat is a Rev. John A. Zahm, C.S.C., Professor of Science in the Department of Chemistry

and Biochemistry and Radiation Laboratory at University of Notre Dame. For more than three decades he has

worked to build bridges between physical chemistry and material science to develop advanced nanomaterials for

efficient light energy conversion. He has published more than 450 scientific papers (55000+ citations, h-index

122). Thomson-Reuters has featured him as one of the most cited researchers in 2014 and 2016. He is currently

serving as the Editor-in-Chief of ACS Energy Letters. He is a Fellow of the Electrochemical Society, American

Chemical Society, American Association for the Advancement of Science (AAAS) and Pravasi Fellow of the

Indian National Science Academy

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Dr. Premkumar Senguvuttan Jawaharlal Nehru Centre for Advanced Scientific Research


E-mail:[email protected]

Battery Chemistries Beyond Li-ion: Opportunities & Challenges

The successful commercialization of Li-ion batteries (LIBs) in early 1990s is regarded as one of the

major milestones in battery technologies. Today’s state-of-art LIBs can deliver energy densities close

to 250 Wh/g and are expected to reach their theoretical limitation sooner.1 Therefore, in order to match

with the ever increasing energy storage demand of long-term future, the development of battery

technologies based on new chemistries are required. The spaces beyond Li-ion is large but unexplored

and thus posses not only opportunities but also challenges. Hence, it is appropriate to start based on the

know-how knowledge that we gained from Li-ion chemistry. For instance, intercalation chemistry,

which is a dominant mechanism to reversible store lithium ions in the host structures, could be expanded

to insert other mono- and multi-valent cations (Na+, K+, Mg2+, Ca2+, Al3+ and Zn2+).2,3 This talk outlines

the basic principles of intercalation mechanism followed by the discussions on recent developments of

Na-ion and multivalent-ion intercalation electrodes.

References:

1. Whittingham M. S. Chem. Rev. 2014, 114 (23), 11414

2. Palomeras, V.; Serras, P.; Villaluenga, I.; Hueso, K.; Carretaro-Gonzalez, J.; Rojo, T.; Energy Environ. Science

2012, 5(3), 5884

3. Muldun, J.; Bucur, C. B.; Gregory T.; Chem. Rev. 2014, 114(23), 11683

Premkumar Senguttuvan completed his B.Tech from CECRI, India (2007) and M.S. from UPJV-France (2010).

He pursued his PhD on the development of New Negative Electrode Materials for Sodium-ion Batteries under the

guidance of Prof. J. –M. Tarascon and Dr. M. R. Palacin at UPJV-France and ICMAB-Spain (2010-2013).

Thereafter, he worked as Postdoctoral Associate in Dr. C. S. Johnson’s group at Argonne National Laboratory,

USA (2014-2016). Recently, he has been appointed as a Faculty Fellow jointly at New Chemistry Unit and

International Centre for Materials Science, JNCASR-India (2016). His research interests are synthesis, structural

and electrochemical characterization of new electrode materials for Li-, Na- and multivalent-ion batteries.

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List of selected participants for JNCASR-I2CAM school 2017

1. Aarti Tiwari,Indian Institute of Technology-Ropar, Ropar

2. Abinash Das, National Institute of Technology, Silchar

3. Ajay Kumar R, KL University, Guntur, AP

4. Akash Sharma, Indian Institute of Technology, Jharkhand

5. AktaVerma, Indian Institute of Technology, Dhanbad

6. Alamelu. K, Pondicherry University, Pondicherry

7. Amit Kumar Mishra, Tata Institute of Fundamental Research, Mumbai

8. Anand kumar Roy, JNCASR, Bangalore

9. Ananya Banik, JNCASR, Bengaluru

10. Anjaneya KC, Indian Institute of Science, Bengaluru

11. Ankit Yadav, Indian Institute of Science, Bengaluru

12. Anne-Marie Caroline Zieschang, Technische Universität Darmstadt, Germany

13. Anurag Roy, Central Glass and Ceramic Research Institution, Kolkata

14. Archana B, Jawaharlal Nehru Technological University, Ananthpur

15. Arivarasan A, Kalasalingam University, Virudhunagar, Tamilnadu

16. Arjun C H, JNCASR, Bangalore

17. Arun Kumar Manna, Indian Institute of Technology, Tirupati

18. Ashwini Anshu, VIT University, Vellore

19. AyanMaity, Tata Institute of Fundamental Research, Mumbai

20. Balakrishnan K, Pondicherry University, Puducherry

21. Bikash Sharma, CSIR- Indian Institute of Chemical Technology, Hyderabad

22. Brijesh K, Dept of Physics NITK Surathkal, Mangalore

23. Chandani Singh, University of Hyderabad, Hyderabad

24. Chanderpratap Singh, Indian Institute of Science Education and Research

(IISER) Bhopal

25. Debabrata Bagchi, JNCASR, Bangalore

26. Deepa KG, Indian Institute of Science, Bengaluru

27. Dhanush shanbhag , Dept of Physics NITK Surathkal, Mangalore

28. Dibyendu Ghosh, Indian Institute of Science Education and Research-Kolkata

29. DipanjanMaity, S.N. Bose National Centre for Basic Sciences, Kolkata

30. DipsikhaGanguly, Indian Institute of Technology-Madras, Chennai

31. Duraisamy E, Pondicherry University, Pondicherry

32. Guruprasad S Hegde, Indian Institute of Technology-Madras, Chennai

33. HimadriTanaya Das, Pondicherry University, Puducherry

34. HomenLahan, Tezpur University, Tezpur

35. IndrajitPatil, SRM University, Chennai

36. JayeetaSaha, Indian Institute of Technology-Bombay, Mumbai

37. Jayita Patwari, S. N. Bose National Centre For Basic Sciences, Kolkata

38. Kalishankar Bhattacharyya, Indian Association for the Cultivation of Science,

Jadavpur

39. Karthik S Bhat, Dept of Physics NITK Surathkal, Mangalore

40. Kaustav Chatterjee, Indian Institute of Science Education and Research (IISER),

Mohali

41. Kiran G K, Bangalore University, Bengaluru

42. Kishan Lal Kumawat, Indian Institute of Science, Bengaluru

43. Krishnakant Vishwakarma, TIFR, Mumbai

44. KrutiHalankar, Bhabha Atomic Research Centre, Mumbai University, Mumbai

Participants

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45. Labanya Bhattacharya, Indian Institute of Technology, (ISM) Dhanbad

46. Lothar Dirk Hans-Joachim Bischoff, Technische Universität Darmstadt

47. Madhulika Mazumdar, JNCASR, Bangalore

48. Maheswari S, Indian Institute of Technology-Madras, Chennai

49. MallappaMuttu, Govt. Science College, Bengaluru

50. Mamatha kumari, YogivemanaUniversity, Kadapa, Andhra Pradesh

51. Mamta, Indian Institute of Technology-Madras, Chennai

52. Manav Saxena, Jain University, Bengaluru

53. ManigandanRamadoss, University of Hyderabad, Hyderabad

54. Manjeet Chhetri, JNCASR, Bangalore

55. ManjiriMahadadalkar, Centre for Materials for Electronics Technology, Pune

56. Manju V, Central Electrochemical Research Institute, Karaikudi

57. Maria Anglin Sinthiya M, SRM University, Chennai

58. Marilyn Mary Xavier, Mahatma Gandhi University, Kottayam, Kerala

59. MeenaketonSethi, NITK Surathkal, Mangalore

60. Mihir Kumar Jha, Indian Institute of Technology Bombay, Mumbai

61. Mir MehrajUd din, Pondicherry University, Pondicherry

62. Mohan Varkolu, Indian Institute of Technlogy, Hyderabad

63. Mohd Monis Ayyub, JNCASR, Bangalore

64. Mohit Saraf, Indian Institute of Technology Indore, Simrol

65. Munikrishnappa C, Indian Institute of Science, Bengaluru

66. Muthu Vinayagam, Kalasalingam University, Virudhunagar, Tamilnadu

67. NagendraKulal, Poornaprajna Institute of Scientific Research, Bengaluru

68. Naresh Vangapally, Indian Institute of Technology Hyderabad

69. Narugopal Manna, National Chemical Laboratory, Pune

70. Naveen Kumar Veldurthi, Indian Institute of Science, Bengaluru

71. Neha Bothra, JNCASR, Bangalore

72. Nethravathi C, Mount Carmel college, Bengaluru

73. NishaRanjan, Indian Institute of Technology Madras, Chennai

74. PadmashriPatil, Indian Institute of Science Education and Research (IISER)

Pune

75. Padmini M, Central Power Research Institute, Bangalore

76. PandikumarAlagarsamy, CSIR- Central Electrochemical Research Institute,

Karaikudi

77. Pawan Kumar Dubey, Banaras Hindu University, Varanasi

78. Poulomi Chakrabarty, Indian Institute of Technology, Kharagpur

79. Pramod Kandoth Madathil, Indian Institute of Science, Bengaluru

80. Prasankumar T, Madurai Kamaraj University, Madurai

81. Prashanth S Adarakatti, Indian Institute of Science, Bengaluru

82. PratapVaishnoi, JNCASR, Bangalore

83. Raghvendra Pandey, A.R.S.D. College, University of Delhi, New Delhi

84. Rahul Purbia, National Institute of Technology, Rourkela

85. Rajamani A.R. JNCASR, Bangalore

86. Rajini P Antony, Bhabha Atomic Research Center, Mumbai

87. Rajoba Swapnil Jinendra, Rajaram College, Kolhapur

88. Ramesh Kumar K, Indian Institute of Technology, Hyderabad

89. Ranganatha S, Indian Institute of Science, Bengaluru

90. Ranjithkumar Rajamani, KIRND Institute of Research and Development

91. Rohit Sathe, Indian Institute of Technology, Ropar

92. RudranarayanKhatua, Indian School of Mines,Dhanbad

Participants

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93. Saikumar M, National Institute of Technology, Warangal

94. Sajad Ahmad, JNCASR, Bengaluru

95. SanchariBanarjee, Indian Institute of Technology(ISM),Dhanbad

96. Sandip Chakrabarti, Amity University, Noida

97. Sangeeta Adhikari, Indian Institute of Science, Bengaluru

98. Sangeetha D. N, Manipal Institute of Technology, Mangalore

99. Sankar Ganesh, Bharathiar University, Coimbatore

100. Sankeerthana B, Indian Institute of Technology, Madras

101. Sapna Singh, Indian Institute of Technology, Roorkee

102. SaptarshiDhibar, Indian Association for the Cultivation of Science, Kolkata

103. SarfrajHisamuddinMujawar, Mahatma PhuleMahavidyalaya, Pune

104. SatyendarSunkara, Indian Institute of Science, Bengaluru

105. Saurav Chandra Sarma, JNCASR, Bangalore

106. ShamaPerween, Rajiv Gandhi Institute of Petroleum Technology, Jais,

Amethi,

107. Shashi Bhusan Mishra, Indian Institute of TechnologyMadras, Chennai

108. Shubhajit Das, JNCASR, Bengaluru

109. Somendra Singh, Rajiv Gandhi Institute of Petroleum Technology,Jais,

Amethi, Uttar Pradesh

110. Soumita chakraborty, JNCASR, Bangalore

111. Sreejith P. Babu, Pondicherry University, Pondicherry

112. SreenivasanKP, MES Kalladi College,Mannarkkad, KL

113. Srikanth Birudula, Indian Institution of Science Education & Research,

Kolkata

114. Srikanth Reddy T, CSIR-National Chemical Laboratory, Pune

115. Srinivas Billakanti, University of Hyderabad, Gachibowli, Hyderabad

116. Subhajit Roychowdhury,JNCASR, Bengaluru

117. Subhashree Seth, Indian School of Mines,Dhanbad

118. Subhasis Das Adhikary, Indian Institute of Technology, Ropar

119. Sudeshna Mondal, Indian Institute of Technology, Bombay

120. Sumana Brahma, Indian Institute of TechnologyMadras, Chennai

121. Sundheep R, Centre for Green Energy, Pondicherry University

122. Surajit Ghosh, Indian Institute of Technology, Kharagpur

123. Suresh D, Tumkur University, Tumkur

124. SuryakantiDebata, Indian Institute of Technology (ISM), Dhanbad

125. Vamseedhara Vemuri, JNCASR, Bangalore

126. Varun Srivastava, IISER Thiruvananthapuram

127. VenkateswarluDaramalla, Indian Institute of Science, Bangalore

128. Vignesh M, Pondicherry University, Pondicherry

129. Vijay Kailas Vaishampayan, SRM University, Kattankulathur, Chennai

130. Vikram Singh, Indian Institute of Technology Ropar

131. Vivekanandhan, National Institute of Technology, Tiruchirappalli,

132. Yashwant Pratap Kharawar, Indian Institute of Technology Madras, Chennai

133. Yellareshwara Rao K, Vignan Institute of Information Technology, Vizag

134. Dheeraj Kumar Singh, JNCASR, Bangalore

Participants Participants

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P1

Microelectrochemical Insight into Alkaline Dioxygen Reduction

Aarti Tiwari, Vikram Singh, Debaprasad Mandal, Tharamani C. Nagaiah*

Department of Chemistry, Indian Institute of Technology Ropar

*Email: [email protected]

Fundamental understanding of alkaline oxygen reduction reaction (ORR) is a grave necessity to improve the

designing of electrocatalysts towards oxygen electrodes for energy applications like alkaline fuel cells, metal-

air batteries and chlor-alkali electrolyzers. Depending on the catalyst natureORR may be either a 2 or 4e-

process with the formation of a peroxide intermediate. Hence, probing the mechanistic pathway of ORR is a

key towards efficient electrode design and helps in fine tuning to achieve low overpotentials with fast kinetics.

It also predicts the stability w.r.t. activity as a function of time. This work aims at employing a fast and localized

4-probe microelectrochemical investigation of the designed asymmetric hetero-atom containing carbon

nanospheres and assess its ORR activity, kinetics and mechanistic pathway. Microelectrochemical

investigation empowers to capture the redox-active intermediates at their instant of formation because ofits

micrometric dimension and proximity with the catalyst surface. This is especially useful to probe the

intermediates and follow their evolution with applied voltage to help ascertain the reaction pathway. These

measurements can be taken a step further by introducing a competitive probe (Pt-microelectrode) against the

catalyst to assess its comparative ORR activity in alkaline medium at micrometer scale.Italso helps to identify

the active sites over the loaded catalyst spot. The NCS catalyst was further studied to determine its kinetic

parameters which supports the microelectrochemical studies and establishes the facility of ORR in alkaline

medium.

Fig. Schematic representation and response for chronoamperometric microelectrochemical measurement of

potential dependent ORR probed by Pt ultramicroelectrode (WE2; held at 1.4 Vvs. RHE) in response to the

application of potential pulse profile at the NCS sample (from 1.4 to 0.1 Vvs. RHE) to reduce oxygen in 1 M

NaOH.


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P2

Energy Efficient Green Synthesisof ZnO Nanomaterials as a Low-Cost Solar Photocatalyst

Abinash Das, Ranjith G. Nair*

Solar Energy Materials Research and Testing Laboratory, Department of Physics, National Institute of Technology

Silchar, Assam-788010(India)

*Email: [email protected], [email protected]

Considering the growing energy demand and environmental degradation, semiconductor solar photocatalysis

has become an emerging technology to address these issues in sustainable manner. ZnO seems to be a better

option as photocatalyst due to its superior inherent properties, including non-toxicity, low cost and high

electronic conductivity, etc. [1].Among many approaches, microwave assisted method appears to be the most

facile and practical technique for synthesizing ZnO for its uniform temperature and moisture profiles which

improved yields quantity and morphology as reported elsewhere [2]. Present work reports the microwave

assisted synthesis and characterization of zinc oxide nanomaterials as an efficient photocatalyst. The

morphology of the ZnO samples have been tuned using microwave irradiation power which plays a major role

on photocatalytic performance of the samples. The physicho-chemical properties of the as prepared samples

has been studied using various characterization techniques such asXRD, FESEM, PL and UV-Vis

spectroscopy. Moreover, the photocatalytic performance of the samples were also evaluated under solar

irradiation using Methylene Blue as probe pollutant and it has been found that the sample showed better

photocatalytic performance in terms of rate constant than Degussa P25.

Figure. FESEM micrographs of as-synthesized ZnO nanomaterials

References

[1] Rasha N. Moussawi, Digambara Patra, Scientific Reports, 2016, 6:24565, 1-13

[2] Subrata Kundu, Colloids Surf., A. 2014, 446, 199–212



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P3

Mesoporous TiO2: Synthesis, Characterization For Battery Applicaitons

R. Ajay Kumar, A.VenkateswaraRao, Ch. Rajesh*

Advanced Functional Materials Research Centre, Department of Physics,

K.L University, Vaddeswaram, Guntur, Andhra Pradesh, India-522502.

Herein, we develop a method to synthesis highly ordered mesoporous TiO2 (M-TiO2) particles with high

surface area by hydrothermal method using non-ionic (P123) as a surfactant. Structural characterization studies

revealed that M-TiO2 particles are in anatase phase. The average particle size was found to be 20.5 nm.

Presence of ordered spherical TiO2 particles with uniform size distribution was confirmed by performing

morphological studies using FE-SEM. Further, charge-discharge studies were carried on this material for high

discharge capabilities at room temperature for lithium ion battery applications. The studies were performed on

M-TiO2 particles by over coating it with carbon with different carbon coating conditions. M-TiO2with 0.3

carbon coating showed high capacity and better cyclability. The results indicate that this material can act as a

promising negative electrode.

References

[1] Liu, Y; Yang, Y,Recent Progress of TiO2-Based Anodes for Li Ion Batteries”, J. Nano materials, 2016, 2016, 8123652,

15 pages

[2] Zheng, L; Yuri G,A; Robet, A; Sero, B; Yu, Ren; Peter, G; “Nanostructured TiO2 (B): the effect of size and shapeon

anode properties for Li-ion batteries.” J. Progress in Natural Science, 2013, 23, 235–244.

[3] Donghai, W; Daiwon, C; Zhenguo, Y; Vilayanur, V; Zimin, Nie; Chongmin,W; Yujiang S; Guang, ZJ; and Jun, L;

“Synthesis and Li-Ion Insertion Properties of Highly Crystalline Mesoporous Rutile TiO2”,J. Chem. Mater, 2008, 20,

3435–3442.

[4] Dong, Kim; Seung-Yeop ,K; “The hydrothermal synthesis of mesoporous TiO2 with high crystallinity,thermal

stability, large surface area, and enhanced photo catalytic activity.” J.Applied Catalysis A: Genera , 2007,323 ,110–118.

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P4

ZnO NANOROD-BASED PHOTOELECTRODE EXHIBITING ENHANCED

PHOTOCONVERSION EFFICIENCY: A STUDY FOR PHOTOELECTROCHEMICAL

WATER SPLITTING APPLICATIONS

Akash Sharma, R Thangavel*

Solar Energy Research Laboratory, Department of Applied Physics,

Indian institute of Technology (Indian School of Mines), Dhanbad-826004, Jharkhand


The increased quest for affordable clean energy to overcome the heavy use of fossil fuels has forced the

researchers to think about the conversion of solar energy to some usable form of energy. In this work Undoped

and boron-doped ZnO nanorods (NRs) were grown on ITO glass substrates by using low cost hydrothermal

techniques. The as grown nanorods were investigated by using X-ray diffraction (XRD), field emission

scanning electron microscopy (FESEM), UV-visible spectroscopy and photoelectrochemical study. XRD

spectra reveal the confirmations regarding the hexagonal wurtzite structure along with preferential orientation

(002). The observation of (002) peak shows a red shift. The average size distribution of NRs in doped and

undoped sample ranges from 169 nm-191 nm. The absorption spectra clearly revealed the band gap tunability

feature of the samples with a change in doping percentage. Photoluminescence spectra clearly indicate the

presence of oxygen defects. Photocurrent density as high as 0.622 and 2.6 mA/cm2 were obtained for undoped

and 6% B-doped ZnO NRs arrays respectively, at +0.44 V vs. Ag/AgCl electrode under visible light AM 1.5G

(100 mW/cm2) in 0.1 M electrolyte solutions of NaOH. More enhancement in photoconversion efficiency

(PCE) from 0.491% to 2.054% was observed for undoped ZnO NRs and optimum 6% B-doped ZnO in 0.1M

NaOH electrolyte solution.

Graphical Abstract


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P5

An Approach Towards Spectral Conversion Through Luminescent Materials: Improvment In

The Photovoltaic Efficiency

Akta Verma*, S.K. Sharma

Department of Applied Physics, Indian Institute of Technology (ISM) Dhanbad

*Corresponding author


Recently, global energy crisis is one of the most crucialchallenge among scientific community. The solar

energy conversion through photovoltaic technology (PV) shows an effective routes towards green and

renewable energy generation. Despite of relevant energy being available, commercialized solar cell have

limited efficiency. The main reason that limits the conversion efficiency of solar cell is spectral mismatch

between incident photons of solar spectrum and band gap of semiconductor material. Luminescent materials

can be incorporated with existing solar cells to convert high energy or low energy photons into maximally

useful (band-edge) photons via down-conversion (DC) and up-conversion (UC) processes. Moreover, this

approach requires no further modification in the architecture of existing device materials [1,2].Hence, in the

present research work, an effort has been put towards exploring excellent luminescent materials that can

effectively be employed to achieve this goal in order to improve the efficiency of commercially available solar

cells.

Fig. 1 Spectral conversion through DC & UC luminescent materials for PV.

References

[1] Barry McKenna et. al Towards efficient spectral converters through Materials design for Luminescent Solar

Devices Adv. Mater. 2017, 27, 1606491-1606514.

[2] Hubbert, M. K. Energy from Fossil Fuels. Science1949, 109,103-109.


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P6

Exploring binary and ternary metal oxide nanocomposite photocatalystsfor the removal of

organic pollutants and biomass energy conversion

K. Alamelu, L. Shiamala, V. Raja and B.M. Jaffar Ali*

Bioenergy and Biophotonics Laboratory, Centre for Green Energy Technology, Pondicherry University, RV Nagar,

Kalapet, Puducherry -605014, India.

*Corresponding author


A series of noble metal doped and composite metal oxide photocatalysts namelybinary oxides TiO2 /rGO, TiO2

/Bi2WO6 and ternary composites TiO2 (SGO/Pt, SGO/Ag), have been developed in the laboratory with a focus

to enhance the utilization of visible component toharness sunlight efficiently for the degradation of both

cationic and anionic organic pollutants. The synthesized photocatalysts were characterized by array of

spectroscopic and microscopic techniques. The photocatalytic activity of these photocatalysts were evaluated

by different anionic (MO, CR), cationic dyes (Rh.B, MB), p-nitrophenol. Further, we demonstrate that the

natural ability to degrade complex organic molecules by these compounds can be exploited for useful

bioenergy conversion process.Exemplify with phenolic compound and carbohydrate, we show that

photocatalytic degradation byproducts result in small organic precursors that can be adapted in methanation or

ethanol fermentation. We discuss the issues related to the products yield, controlled degradation and high-

turnover rate in the photocatalytic energy conversion process.

References

[1] Raja, V.; Shiamala, L.; Alamelu, K.; Jaffar Ali, B. M. Sol. Energy Mater. Sol. Cells2016, 152, 125–132.

[2] Zhang, H.; Li, X.; Li, Y.; Wang, Y.; Li, J. ACS Nano2009, 4 (1), 380–386.

[3] Alamelu, K.; Raja, V.; Shiamala, L.; Jaffar Ali, B.M. Appl. Surf. Sci.2017.

[4] Ren, Z. H.; Li, H. T.; Gao, Q.; Wang, H.; Han, B.; Xia, K. S.; Zhou, C. G. Mater. Des. 2017, 121, 167–175.

[5] Kaneko, M.; Saito, R.; Ueno, H.;Nemoto, J.;Izuoka, A.Catal. Letters.2011, 141, 1199–1206.

P7

Defect Engineering in Dendritic Fibrous Nanosilica (DFNS) for Tuning Catalytic Activity and

Selectivity

Amit Kumar Mishra, Vivek Polshettiwar*

Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR),

Mumbai, India.


Porous materials have found range of applications in various field of science and technology. Among all, silica

isone of the popular materialin catalysisbecause of its advantageous properties like low density, high surface



56 | P a g e

area, low toxicity, ease of surface modification, stability, and cost effectiveness. Our recently discovered

dendritic fibrous nanosilica (DFNS)is a special class of silica nanomaterial which possesses unique dendritic

fibrous morphology, high surface area and better stability.DFNS has been successfully utilized in various

applications like catalysis, bio-medical, sensors, CO2 capture-conversion etc.

However, silica by itself does not generally catalyze the reactions, and requires functionalization to generate

active sites. In this work, we aimed to artificially create defects (oxygen vacancies) in DFNSin controlled way

(defect engineering), which can act as catalytically active sites for CO2 conversion. We have developed

efficient way to synthesize defected-DFNS. In this poster, we will present the results of materials synthesis,

characterization and catalysis.

References

[1] V. Polshettiwar, D. Cha, X. Zhang, J. M. Basset, Angew. Chem. Int. Ed., 2010, 49, 9652.

[2] A. Maity and V. Polshettiwar,ChemSusChem, 2017, 10.1002/cssc.201701076

[3] M. Dhiman, B. Chalke, V. Polshettiwar, J. Mat. Chem. A. 2017, 5, 1935-1940.

[4] R. Singh, R. Bapat, L. Qin, H. Feng, V. Polshettiwar, ACS Catal. 2016, 6, 2770-2784.

[5]A. S. L. Thankamony, C. Lion, F. Pourpoint, B. Singh, A. J. P. Linde, D. Carnevale, G. Bodenhausen, H. Vezin, O.

Lafon, V. Polshettiwar, Angew. Chem. Int. Ed. 2015, 54, 2190-2193.

P8

Unique Features of the Photocatalytic Reduction of H2O and CO2 by New Catalysts Based on

the Analogues of CdS, Cd4P2X3 (X= Cl, Br, I)

Anand K Roy and C. N. R. Rao

Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluru

Photochemical reduction of H2O and CO2 has been investigated with a new family of catalysts of the formula

Cd4P2X3 (X= Cl, Br, I), obtained by the complete aliovalent substitution of the sulfide ions in CdS by P and X

(Cl, Br, I). Unlike CdS, the Cd4P2X3 compounds exhibit hydrogen evolution and CO2 reduction from water

even in the absence of a sacrificial agent or a co-catalyst. Use of NixPy as the co-catalyst, enhances hydrogen

evolution, reaching 3870 (AQY= 4.11) and 9258 (AQY= 9.83) µmolh-1g-1 respectively under artificial and

natural (sunlight) irradiation, in the case of Cd4P2Br3/NixPy. Unlike most of the semiconductor-based

photocatalysts, Cd4P2X3 catalysts reduce CO2 to CO and CH4 in the absence of sacrificial-agent or co-catalyst

using water as the electron source. By employing the strategy of aliovalent substitution in CdS, we have been

able to suppress the inherent problem of S2- photocorrosion. Among Cd4P2X3, Cd4P2Br3 is the best catalyst for

the hydrogen evolution reaction whereas Cd4P2I3 shows the highest selectivity for CO2 reduction.

Electrochemical and spectroscopic studies have been employed to understand the photocatalytic activity of

this family of compounds.

57 | P a g e

P9

High power factor and enhanced thermoelectric performance of SnTe-AgInTe2: Synergistic

effect of resonance level and valence band

Ananya Banik, U. Sandhya Shenoy, Sujoy Saha, Umesh V. Waghmare and Kanishka Biswas*

Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluru


Thermoelectric materials have received worldwide attention as they have an ability to convert unused waste

heat into electricity. Understanding the basis of electronic transport and development of ideas to improve

thermoelectric power factor is essential for production of efficient thermoelectric materials. The present work

reports a significantly large thermoelectric power factor of ~31.4 μW/cmK2 at 856 K in Ag & In co-doped

SnTe (i.e. SnAgxInxTe1+2x). This is the highest power factor so far reported for SnTe based material, which

arises from the synergistic effect of Ag and In on the electronic structure and improved electrical transport

properties of SnTe. In and Ag modify the valence band structure of SnTe. In-doping introduces resonance

levels inside the valence bands, leading to a significant improvement in Seebeck coefficient at room

temperature. On the other hand, Ag-doping reduces the energy separation of light and heavy hole valence

bands by widening of the principal band gap, which results in improved Seebeck coefficient. Additionally, Ag

doping in SnTe enhances the p-type carrier mobility. Co-doping of the In and Ag in SnTe yields synergistically

enhanced Seebeck coefficient and power factor over a wide temperature range due to the synergy of the

resonance level formation and valence band convergence, which have been confirmed by first-principles

density functional theory (DFT) based electronic structure calculations. As a result, the enhanced

thermoelectric figure of merit, zT, of ~1 has been achieved for the composition of SnAg0.025In0.025Te1.05 at 856

K.1

Reference

1. Banik, A.; Shenoy, U. S.; Saha, S.; Waghmare, U. V.; Biswas, K. J. Am. Chem. Soc., 2016, 138 (39), 13068–13075.

P10

Sodium Doped Strontium Silicates as Electrolyte for Intermediate Temperature Solid Oxide

Fuel Cells

K. C. Anjaneya*, V. A. Sethuraman

aDepartment of Materials Engineering, Indian Institute of Science, Bangalore 560 012, India


The conventional solid oxide fuel cell electrolyte, yttria stabilized zirconia requires high operating temperature

(800 1000 0C) to achieve sufficient oxide ion conductivity, which increases the cost and exacerbates the

instability between the components. Therefore, there is considerable interest in developing alternative

electrolytes (> 10−2 S/ cm) at intermediate temperature (IT, 600 800 0C). Hence, here we successfully

58 | P a g e

synthesized IT operatable electrolytes Sr1−xNaxSiO3− by solid state reactions. From the XRD, it is evident that

Sr1−xNaxSiO3− samples can be indexed to monoclinic c2/c space group (15) structure. Solid state 29Si NMR

spectrum of SrSiO3 exhibits a sharp single peak centered at – 83 ppm. A broad NMR peak centered at ~ – 87

ppm indicates the presence of amorphous Na2Si2O5 phase in Sr0.55Na0.45SiO3−. FE-SEM images and WDS

mapping shows the segregation of amorphous Na2Si2O5 along the grain boundaries. TEM image of

Sr0.55Na0.45SiO3−clearly indicates the presence of both crystalline and amorphous phases. Sr0.55Na0.45SiO3−

exhibits high conductivity when compare to other electrolytes in the literature which makes it as potential

electrolyte for IT solid oxide fuel cells.

P11

Polypyrrole Coated Nickel Ferrite With Supercapacitive Behavior In Acid, Base And Salt

Media

Ankit Yadav, Rajeev Kumar and BalaramSahoo*

Materials Research Centre, Indian Instituteof Science, Bangalore, India-560012

*Email id : [email protected], [email protected]

In this work, the structural, morphological properties and electrochemical study of Polypyrrole coated nickel

ferrite (PPy/NiFe2O4) deposited onto glassy carbon electrode are explored as potential supercapacitor

materials. For confirming the structure and morphology of NiFe2O4 and PPy/NiFe2O4, characterization tools

like Mössbauer spectroscopy, X-ray diffraction, FTIR and scanning electron microscopy measurements are

used. We have studied the supercapacitivebehavior of nickel ferrite(NiFe2O4) and Polypyrrole coated nickel

ferrite (PPy/NiFe2O4) using cyclic voltammetry (CV), electrochemical impedance study (EIS) and

galvanostatic charge discharge (GCPL) in acid, base and salt media.Deep analysis will be discussed in details.

From the CV measurement found that I-V curve is in rectangular shape.



59 | P a g e

P12

Synthesis of Transition Metal Nitride Nanoparticles in Liquid Ammonia for Water Splitting

Anne-Marie Zieschang, Joshua D. Bocarsly, Michael Dürrschnabel, Leopoldo Molina-Luna, Hans-Joachim Kleebe,

Ram Seshadri, Barbara Albert

Eduard Zintl Institute of Inorganic and Physical Chemistry, Alarich-Weiss-Str. 12, 64287 Darmstadt, Germany


Water splitting is a key technology for the storage of excess energy produced by clean and renewable energy

sources. However, to reduce the cost and improve the stability of watersplitting catalysts, noble-metal free,

abundant compounds will have to be investigated. The current state-of-the-art catalysts are IrO2 and RuO2 for

the oxygen-evolution reaction (OER) and Pt/C for the hydrogen evolution reaction (HER). Transition metal

nitrides have shown great potential as catalysts for overall water splitting.[1-3] The preparation of phase-pure

transition metal nitride nanoparticles is difficult as often carbon or oxygen impurities areintroduced through

the synthesis method. This may negatively impact the catalytic behaviour. In this work, we present the low-

temperature synthesis of phase-pure transition metal nitride nanoparticles in liquid ammonia. TiN, VN, CrN,

Fe2N[4] and Fe3N[4] nanoparticles were obtained. Particle sizes do not exceed 20 nm. The early transition

metal nitrides (TiN, VN and CrN) show excellent stability in acidic and alkaline aqueous solutions commonly

used for water-splitting reactions. Partial oxidation of Fe3N nanoparticles leads to Fe3N-FexOy[4] core shell

particles. The samples are analyzed by transmission electron microscopy (TEM), electron energy loss

spectroscopy (EELS), magnetic measurements (SQUID/VSM) and X-ray powder diffraction (XRD).The

activity of these materials in the watersplitting reactions will be investigated in the future.

References

[1] Balogun, M.-S.; Huang, Y.; Qiu, W.; Yang, H.; Ji, H.; Tong, Y. Updates on the development of nanostructured

transition metal nitrides for electrochemical energy storage and water splitting. Mater. Today 2017, in press.

[2] Xie, J.; Xie, Y. Transition Metal Nitrides for Electrocatalytic Energy Conversion: Opportunities and Challenges.

Chem. – Eur. J. 2016, 22, 3588-3598.

[3] Zhang, B.; Xiao, C.; Xie, S.; Liang, J.; Chen, X.; Tang, Y. Iron-Nickel Nitride Nanostructures in Situ Grown on

Surface-Redox-Etching Nickel Foam: Efficient and Ultrasustainable Electrocatalysts for Overall Water Splitting. Chem.

Mater.2016, 28, 6934-6941.

[4] Zieschang, A.-M.; Bocarsly, J. D.; Dürrschnabel, M.; Molina-Luna, L.; Kleebe, H.-J.; Seshadri, R.; Albert. B.

Nanoscale Iron Nitride, ε-Fe3N: Preparation from Liquid Ammonia and Magnetic Properties.Chem. Mater.2017, 29,

621-628.

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P13

Performance of Chemically Synthesized Porous Nanostructured BaSnO3 in Photovoltaic

Applications

Anurag Roy£, Partha Pratim Das£,§ and Parukuttyamma Sujatha Devi£* and Senthilarasu SundaramϮ

£Sensor and Actuator Division, CSIR-Central Glass and Ceramic Research Institute, Kolkata-700032, India.

§ Crystallographic Lab, Department of Earth System Sciences, Yonsei University, Yonseiro-50, Seoul-03722, Korea

Ϯ Environmental and Sustainability Institute, University of Exeter, Penryn Campus, Cornwall TR10 9FE, UK


Efficient dye sensitized solar cells (DSSC) and pervoskite solar cells (PSC), the photovoltaic technologies

whichare emerging as a promising and cost-effective contender for harvesting solar power as a renewable

source of energy [1]. TiO2 has already established as a trendsetter photoanode for this system. Rather constrain

only TiO2, we are also found various other alternative oxides to explore more scientific contribution on the

DSSC studies. In search of necessary alternative binary metal oxides many simple oxides we have successfully

implemented BaSnO3, to integrate multiple functions in one system for exploring better performance. In

addition, there are ample scopes of monitoring physical, chemical and optical properties by altering the

compositions of the simple binary oxides.We have focused towards the facile chemical synthesis route to

produce BaSnO3, an n-type semiconductor and further applied as an alternative photoanode for DSSC and

PSCdevices. All the materials are exclusive to their morphologies and we have thoroughly studied the synthesis

mechanism with the eventually analysis of phase, structural and opto-electronic characterizations and further

implemented as an alternative to TiO2 photoanode in DSSC.Theperovskite BaSnO3 nanorods, was synthesized

though sol-gel process, which is readily improved the dye sensitization time and we have achieved a maximum

PCE of ~6.8% with a high VOC of ~0.8V.The same rods has been utilized to fabricate PSC cells completely at

ambient condition and a maximum efficiency of 2.26% was recorded under 1 sun AM 1.Being an alternative

to TiO2, BaSnO3keeps potential performance as an energy harvesting material in DSSC and PSC.

References

[1] Das, P.P.; Agarkar,S.A.; Mukhopadhyay, S.; Manju, U.; Ogale, S.B.; Devi, P.S. Inorg. Chem.2014, 53, 3961-3972.

[2] Das, P.P.; Roy, A.; Tathavadekar, M.; Devi, P.S. Applied Catalysis B: Environmental2017, 203, 692-703.



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P14

Enhanced Photocatalytic Hydrogen Generation and Photostability Of ZnO Nanoparticles

obtained via Green Synthesis

B. Archanaa, c, K Manjunathb, G. Nagarajuc K. B. Chandra Sekhard and Nagaraju Kottama*

aDepartment of Chemistry, M. S. Ramaiah Institute of Technology, Bengaluru, India

bDepartment of Chemistry, Jain University, Bengaluru, India

cDepartment of Chemistry, Siddaganga Institute of Technology, Tumakuru, India

dDepartment of chemistry, R& D Cell, JNTUA, Anantapuramu, India


ZnO nanoparticles are prepared via green synthesis and characterized by various spectroscopic and

microscopic techniques. Crystalline wurtzite ZnO nanoparticles with an average size 100-200nm, show blue

shift in the absorption spectra strong defect-related emission. Photocatalytic generation of hydrogen by these

nanoparticles has been investigated under UV-Visible light irradiation. The H2 evolution activity of

nanoparticles increases with decrease in size. Better H2 evolution rates up to 360 μmolhg-1 obtained. The

photostability of ZnO nanoparticles compared to bulk counterpart is attributed to unintentional insitu carbon

doping in nanoparticles. It is noteworthy that ZnO nanoparticles prepared via green synthesis exhibits oxygen

vacancies and registers enhanced photocatalytic activity as well as good photostability.

P15

Quantum Dots Sensitized Solar Cells

A. Arivarasana*, S. Ezhilarasia, G. Sasikalab, R. Jayavelc

aInternational Research Centre, Department of Physics, Kalasalingam University, Krishnankoil 626 126, Tamilnadu,

India, bCrystal Growth centre, Anna University, Chennai 600025, Tamilnadu, India.

cCentre for Nanoscience and Technology, Anna University, Chennai 600 025, Tamilnadu, India

Email: [email protected]

The emergence of semiconductor nanocrystals as the building blocks of nanotechnology has opened up new

ways to utilize them in next generation solar cells. Quantum dot sensitized solar cells (QDSSC) are the most

promising approaches of generation solar cells. In this type of solar cells the light is absorbed by the


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semiconductor quantum dots to generate photoelectrons. The QDs are used as potential sensitizers, because

their absorption range can be controlled by their size and composition. Our current research focussed on the

fabrication of various chacogenides based quantum dots sensitized solar cells. In our previous research, we

have prepared CdTe based QDs and their binary and ternary alloys [1-4]. Based on the prepared QDs, quantum

dots sensitized solar cells were fabricated and their photovoltaics responses were studied under standard

illumination conditions. Our research work substantiates quantum dots sensitized solar cells significantly

increases the efficiency of the solar cells.

References

1. Arivarasan A.,Sasikala G. and Jayavel R., “In situ synthesis of CdTe:CdS quantum dot nanocomposites for

photovoltaics applications”, Materials science in semiconductor processing, Vol. 25 (2014), pp. 238-243.

2. Arivarasan A.,Sasikala G. and Jayavel R., “Fabrication of highly fluorescent cadmium based aqueous phase

colloidal quantum dots for solar cell applications”, Advanced Materials Research, Vol. 584 (2012) pp 313-318.

3. AyyaswamyArivarasan, SasikalaGanapathy, Ali Alsalme, AbdulazizAlghamdi, RamasamyJayavel, “Structural,

optical and photovoltaic properties of co-doped CdTe QDs for quantum dots sensitized solar cells”, Superlattices and

Microstructures, Vol. 88 (2015) pp. 634-638.

4. Anbarasi A., Kalpana R., Arivarasan A., Jayavel R. and Venkataraman B. Detection of UV Rays Using CdTe

Quantum Dots, International Journal of Measurement Technologies and Instrumentation Engineering (IJMTIE), 5 (1),

15-27 (2015).

P16

Novel Catalysts for Enhanced Thermocatalytic CO2 conversion to Methanol: An Approach

Towards Commercialization of Advanced CO2 Conversion Technology

Arjun CH, Soumyabrata Roy, Md. Jabed Hossain, Sebastian C. Peter*

*New Chemistry Unit, JNCASR, Bangalore, India.

E-mail: [email protected], sebastiancp@ jncasr.ac.in

One of the most critical problem that the human kind is facing in the modern era is undoubtedly that of climate

change. The major culprit for climate change is the ultra-stable molecule CO2 which forms ubiquitouslyas the

oxidation product of any carbon material. Millions of tons of CO2 per year get emitted as waste from the global

industrial sector, which if converted to valuable chemicals have the potential to change the economy of the

world. MeOH is the most attractive conversion product in the thermo-catalytic pathway which could not be

commercially realized yet due to problems as lack of efficient catalyst, limited conversion, energy efficiency

of the technology and most importantly high cost of hydrogen. We at JNCASR, are working towards solving

these bottlenecks of the overall technology through synthesis of efficient catalysts and designing more energy

efficient reactor systems. The catalysts have been synthesized through extensive structure property relation

63 | P a g e

study corroborating with 1st Principle DFT calculations. Advanced CFD calculations are used to design energy

efficient reactor systems. Nano structuring in the group 13 element doped CZZ systems showed highly

enhanced conversion and methanol selectivity. At present we are scaling up the end-to-end process, the success

of which might lead to opening of new directions in CO2 conversion technology.

P17

Quantitative Prediction of Optical Absorption in Molecular Solids using an Optimally Tuned

Range Separated Hybrid Functional

Arun K. Manna,1,2 Sivan Refaely-Abramson,2,3 Anthony Reilly,4 Alexandre Tkatchenko,5 Jeffrey B. Neaton,3 and Leeor

Kronik2

1Department of Chemistry, Indian Institute of Technology Tirupati, AP 517506, India

2Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100, Israel

3Department of Physics, University of California, Berkeley, CA 94720-7300, USA

4The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, England

5Physics and Materials Science Research Unit, University of Luxembourg, L-1511, Luxembourg


Quantitative prediction of optical absorption in the solid-state using density functional theory (DFT) is a long-

standing challenge. In principle, this should be possible with timedependent DFT (TDDFT). In practice, the

results depend very strongly on the approximate exchange-correlation functional. Standard approximations,

even ones that work well for many molecular systems, usually fail qualitatively in the solid state. We show

that such prediction is in fact possible, using the recently-developed timedependent optimally-tuned screened

range-separated hybrid (OT-SRSH) [1,2]. Briefly, in this method the molecular electronic structure is

determined by optimal tuning of the rangeseparation parameter in a range-separated hybrid functional. Then,

electronic screening and polarization in the solid-state are taken into account by adding long-range dielectric

screening to the functional form. We provide a comprehensive benchmark for the accuracy of this approach,

by considering the X23 benchmark set of molecular solids [3], with structures obtained using a semi-local

exchange-correlation functional PBE, augmented with pairwise dispersion interactions as prescribed by

Tkatchenko and Scheffler [4], and a dielectric constant obtained from both many-body dispersion and the

random-phase approximation. We find our results to be in good agreement with many-body perturbation theory

in the GW-BSE approximation [5]. We discuss strengths and weaknesses of the approach. We believe that it

could be used for studies of molecular solids typically outside the reach of computationally more intensive

methods.

References:

[1] Refaely-Abramson, S.; Jain, M.; Sharifzadeh, S.; Neaton, J. B.; Kronik, L. Phys. Rev. B (Rapid Comm.) 2015, 92,

081204(R).

[2] Kronik, L.; Neaton, J. B. Annual Reviews Phys. Chem. 2016, 67, 587.

[3] Reilly, A. M.; Tkatchenko, A. J. Chem. Phys. 2013, 139, 024705.

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[4] Tkatchenko, A.; Scheffler, M. Phys. Rev. Lett. 2009, 102, 73005.

[5] Manna, A. K.; Refaely-Abramson, S.; Reilly, A.; Tkatchenko, A.; Neaton, J. B.; Kronik, L. J. Chem. Theory

Comput. 2017 (to be submitted).

P18

Metal Peroxide / Polymer Composites for Reactive Oxygen Species Generation

Ashwini Anshu, R Vijayaraghvan* School of Advanced Sciences, VIT University, Vellore, India


Semiconductor photocatalysts in aqueous suspension generate Reactive Oxygen Species (ROS) through

absorption of light of appropriate wavelength involving the excitation of electrons to conduction band leaving

behind holes in valence band. Holes react with water oxidizing it to H+ ions which may get reduced to

hydrogen. Thus photocatalytic generation of hydrogen employing oxides / composites is an attractive option

if the electron – hole is efficiently separated. Towards the efficient separation, we have designed and developed

ZnO2/conducting polymer composites and demonstrated that ROS is released by these composites in absence

and presence of light. ROS such as hydroxyl radicals can degrade dyes into non-toxic compounds in addition

to hydrogen generation. Towards this objective we are exploring number of metal peroxides and its composites

for dye degradation. Here, we report our work on magnesium peroxide and its composites for dye degradation

by photochemical pathways. The nanocomposites are synthesized from monomers and peroxides. ZnO2 and

MgO2/its composites with polypyrrole (PPY) have been used for Rhodamine B degradation without any

irradiation. The formation of composites with electron rich organic molecules decreases the band gap (Eg) of

magnesium oxide. This method is based on catalytic activity of composites that can be of use for water

treatment which is time as well as cost effective and environment friendly technique.

References:

[1] Fu H, Pan C, Yao W and Zhu Y 2005 J. Phys. Chem. B. 109 22432–22439.

[2] Yeh R.Y.L, Hung Y.T, Liu R. L.H, Chiu H.M. and Thomas A 2002 Int. J. Environ. Stud. 59 607–622.

[3] Alinsafi A, Khemis M, Pons M.N, Leclerc J.P, Yaacoubi A, Benhammou A and Nejmeddine A 2005 Chem. Eng.

Process. Process. Intensif. 44 461–470.

[4] Metivier P. H, Faur B. C, Jaouen P, and Le Cloirec P 2003 Environ. Technol. 24, 735–743.

[5] V. Lakshmi Prasanna and Rajagopalan Vijayaraghavan , Scientific Reports , 8th Dec, 2016.


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P19

Chemistry of Fibrous Nanosilica Spheres Formation

AyanMaitya, AvikDasb, DebasisSenb, S. Mazumderb, Vivek Polshettiwara*

aDepartment of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), Mumbai, India

bSolid State Physics Division, Bhabha Atomic Research Centre (BARC), Trombay, Mumbai, India


Morphology-controlled nanomaterials play crucial roles in the development of technologies that address

challenges in various fields including energy, environment and health. They have wide applications in

materials science as exceptional building blocks for the fabrication of an assortment of valuable materials. In

the last two decades, silica-based nanomaterials have drawn significant attention in research due to their wide

applications. 1,2 Our notable, recent invention is dendritic fibrous nanosilica (DFNS).3-5. This material possesses

a unique fibrous morphology, which is unlike the tubular porous structure of various conventional silica

materials. DFNS has showed exceptional activities in a range of fields, such as catalysis, gas capture, solar

energy harvesting, energy storage, sensors, and biomedical applications. In this work we comprehend and

demonstrate experimentally the formation mechanism of nanomaterial (DFNS) using unique coalescence

process for the first time. The formation of DFNS followed several systematic steps: lamellar micelle formation

by self-assembly of surfactant molecules, their stabilization by co-surfactants, the formation of bi-continuous

microemulsion droplets (BMDs) and coalescence to yield a microemulsion-based nanoreactor that acts as a

template to produce DFNS. The role of the co-surfactant was very dramatic, which allowed the understanding

of this intricate mechanism involving the complex interplay of self-assembly, BMDs formation and

coalescence. In-situ investigations under the exact synthetic conditions using small-angle X-ray scattering

demonstrated the solidity of the proposed formations steps and allowed deeper molecular level insight. It is

worthy to mention that the decipherment of actual molecular mechanism regarding formation of such complex

nanostructure is not only crucial from scientific point of view but also is an essential technological requirement

in today’s cutting edge of materials science.

Reference

[1] Maity, A; Polshettiwar, V.ChemSusChem2017, doi:10.1002/cssc.201701076.

[2] Stober, W.; Fink, A.; Bohn, E. J. Colloid Interface Sci. 1968, 26, 62-69.

[3] Polshettiwar, V.; Cha, D.; Zhang, X.; Basset, J. M. Angew. Chem. Int. Ed.2010, 49, 9652-9656.

[4] Singh, R.; Bapat, R.; Qin, L.; Feng, H.; Polshettiwar, V. ACS Catal.2016, 6, 2770-2784.

[5] Bayal, N.; Singh, B.; Singh, R.; Polshettiwar, V. Sci. Rep. 2016, 6, 24888.


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P20

In-Situ Grown Nickel Selenide onto Graphene as a Nanohybrid Electrode for High Energy

Density Asymmetric Supercapacitors

Balakrishnan.K, Subramania.A*

Electrochemical Energy Research Lab, Centre for Nanoscience and Technology,

Pondicherry University, Puducherry - 605014, India

Email: [email protected])

Nickel selenide (NiSe) nanoparticles uniformly embedded onto graphene nanosheets (G) to form NiSe-G

nanohybrid by an in-situ hydrothermal process. The uniform distribution of NiSe onto graphene nanosheets

bestowed the NiSe-G nanohybrid with faster charge transport and electrolyte diffusion. The synergistic effect

between NiSe nanoparticles and graphene nanosheets for supercapacitor applications was systematically

investigated for the first time. The free standing NiSe-G nanohybrid electrode exhibited better electrochemical

performance with a high specific capacitance of 1288 F g-1 at a current density of 1 A g-1 and excellent

capacitance retention of 98% even after 2500 cycles than that of NiSe nanoparticles. Furthermore, an

asymmetric supercapacitor device assembled using NiSe-G nanohybrid as the positive electrode, activated

carbon as the negative electrode and electrospun PVdF membrane containing 6 M KOH as the separator as

well as electrolyte delivered a high-energy density of 54.1 Wh kg-1 with a power density of 851 W kg-1 in the

operating voltage of 1.7 V. It revealed that NiSe-G nanohybrid can be used as a potential electrode material

for high-performance supercapacitors.

References

[1] Lu, T.; Dong, S.; Zhang, C.; Zhang, L.; Cui, G., Fabrication of transition metal selenides and their

applications in energy storage. Coordination Chemistry Reviews 2017,332, 75-99;

[2] Kirubasankar, B.; Murugadoss, V.; Angaiah, S., Hydrothermal assisted in situ growth of CoSe onto graphene

nanosheets as a nanohybrid positive electrode for asymmetric supercapacitors. RSC Adv. 2017,7 (10), 5853-5862.

[3] Kumar, M.; Subramania, A.; Balakrishnan, K., Preparation of electrospun Co3O4 nanofibers as electrode material

for high performance asymmetric supercapacitors. Electrochim. Acta 2014,149, 152-158

[4] Vijayan, S.; Kirubasankar, B.; Pazhamalai, P.; Solarajan, A. K.; Angaiah, S., Electrospun Nd3+-Doped LiMn2O4

Nanofibers as High-Performance Cathode Material for Li-Ion Capacitors. ChemElectroChem 2017,4 (8), 2059-2067

[5] Solarajan, A. K.; Murugadoss, V.; Angaiah, S., Dimensional stability and electrochemical behaviour of ZrO2

incorporated electrospun PVdF-HFP based nanocomposite polymer membrane electrolyte for Li-ion capacitors. Nature

- Sci. Rep. 2017,7, 45390.


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P21

Supported Au-Pd Nanoparticle an efficient Catalyst for hydrogen generation from Formic Acid

Bikash Sharma and Rohit Kumar Rana*

Nanomaterials Laboratory, Inorganic & Physical chemistry Division

CSIR- Indian Institute of Chemical Technology, Hyderabad, India – 500007


Hydrogen is of significant importance in clean energy applications although effective hydrogen storage

technologies still need to be developed.1 Formic acid (FA) is a promising hydrogen carrier,2 which has several

significant features such as (a) nontoxicity with high hydrogen content (4.4 wt%), (b) high stability as a liquid

at room temperature, and (c) easy synthesis via a biomass process, CO2 reduction or methyl formate

hydrolysis.3 FA can be catalytically decomposed to H2 and CO2 through a dehydrogenation pathway

(HCOOH(l) → H2(g)+CO2(g), ∆G298K = -35.0 kJmol-1).4 However, carbon monoxide (CO), which is a fatal

poison to catalysts of fuel cells,5 can also be generated through a dehydration pathway (HCOOH(l) →

H2O(l)+CO(g), ∆G298K = -14.9 kJmol-1), depending on the catalysts, pH values of the solutions, as well as the

reaction temperatures. Herein, we investigate the synthesis and characterization of Poly-(Vinyl pyrrolidone)

(PVP) protected Au-Pd bimetallic nanoparticles heterogenized on metal oxide support as catalysts, which show

high catalytic activities for the decomposition of aqueous formic acid at convenient temperature. The as

synthesized catalyst was characterized with PXRD, UV-VIS, FE-SEM, DLS, XPS and TEM studies.

References

1. Schlapbach, L.; Zu¨ttel A. Nature 2001, 414, 353.

2. Grasemann, M.; Laurenczy, G. Energy Environ. Sci. 2012,5, 8171.

3. Bi, Q. Y. ; Lin, J. D.; He, H. Y.; Cao, Y. Angew.Chem., Int. Ed. 2014, 53, 13583.

4. Hu, C.; Ting, S.W. ; Chan, K. Y. Int. J. Hydrogen Energy 2012, 37, 6372.

5. Park, S.; Weaver, M. J. Langmuir 2002, 18, 5792.

P22

Electrochemical Properties of Polypyrrole-Zinc tungstate Nanocomposites synthesised by

Hydrothermal method

Brijesh K*, Bindu K, Amudha A, H S Nagaraja

Department of Physics, National Institute of Technology Surathkal, Shrinivasnagar Mangalore, Karnataka, India

*Corresponding Author E-mail: [email protected]

Zinc tungstate is extensively studied due to its applications in various fields[1].Incorporation of conducting

polymer polypyrrole into ZnWO4 enhances electrical, optical, electrochemical and catalytic properties. In the

present work we are presenting the comparative study of properties of ZnWO4, PPy andZnWO4/PPy

nanocomposite prepared by single step hydrothermal method. Structural, compositional and morphological

properties of the prepared samples were studied using XRD, FTIR and SEM. The optical properties were



68 | P a g e

studied using UV-Visible spectroscopy and Photoluminescence. Electrochemical Characterization was done

by Cyclic Voltammetry, Electrochemical impedance spectroscopy (EIS) and galvanostatic charge discharge

in aqua’s electrolyte (1M KOH, 1M KCl and 0.5M H2SO4). XRD reveals the monoclinic wolframite structure

for both ZnWO4 and ZnWO4/PPy nanocomposite. Investigation of SEM confirmed the growth of PPy over

ZnWO4. From Cyclic Voltammetry, it is found that PPy-ZnWO4 has highest specific capacitance of 852.41 F/g

in 0.5 M H2SO4. However cyclic stability is more in 1 M KCl solution. It has retained 60% of its initial

capacitance even after 500 cycles. EIS data obtained confirms the suitability of PPy-ZnWO4 for the usage of

low leakage capacitors.

References:

(1) Severo, E. da C.; Abaide, E. R.; Anchieta, C. G.; Foletto, V. S.; Weber, C. T.; Garlet, T. B.; Collazzo, G. C.;

Mazutti, M. A.; GÃ\textonequaterndel, A.; Kuhn, R. C.; Foletto, E. L. Preparation of Zinc Tungstate (ZnWO4) Particles

by Solvo-Hydrothermal Technique and Their Application as Support for Inulinase Immobilization. Mater. Res. 2016,

19, 781–785.

P23

Polyoxometalate Supported Bis(Bipyridine)(Aqua)Ni(Ii) Coordination Complex:

Electrocatalytic Water Oxidation

Chandani Singh, Subhabratamukhopadhyay and Samar K. Das*

School of Chemistry, University of Hyderabad,

Email address of corresponding author: [email protected]

Water oxidation is the bottleneck process of water splitting. Till date, many water oxidation catalysts (WOCs)

have been documented but reports of 3d transition metal (especially Ni) containing polyoxometalate

(POM) based stable WOCs are rare. The real challenge for the synthesis of water oxidation catalyst is to

achieve high efficiency (low overpotential, high turnover frequency etc.), robustness (capacity to withstand

high oxidizing environment during WO) and inexpensive preparation of the catalyst.

We have designed a new organic-inorganic hybrid material, which was synthesized from

KegginpolyoxometalateK6[CoIIW12O40], nickel chloride and 2,2' bipyridine using the hydrothermal method.[1]

The formula of the synthesized compound has been determined as {[Ni(2,2’-bpy)3 ]1.5[Ni(2,2’-

bpy)2(H2O)CoIIIW12O40]}˖H2O (1) and was characterized by XRD, UV-Vis., FT-IR, TGA and PXRD studies.

Interestingly, in the asymmetric unit of the crystal structure of compound 1, a {bis(2,2'bipy)NiII(H2O)} is

observed to coordinate to the Keggin cluster anion and one and a half tris(2,2' bpy)Ni(II) coordination

complexes remain in the crystal lattice as discrete entities. The resulting assembly can function as an

electrocatalyst for water oxidation in neutral pH. We are currently studying the kinetics and mechanism of

water oxidation.

References

[1] Baker, L. C. W.; McCutcheon, T. P.; J. Am. Chem. Soc.,1956, 78 , 4503-4505


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[2] Li, Y. F.; Hubble, D. G.; Miller,R. G.; Zhao, H. Y.;Pan,W. P.;Parkin,S.; Yan, B.; Polyhedron,2010,29, 3324-3328

[3] Wang,C. J.; Yao, S.; Chen,Y. Z.; Zhang,Z. M.;Wang,E-B.;RSC Adv., 2016, 6, 99010-99015

P24

Nonporous to Microporous Transformation of Activated Carbon: Remarkable

Supercapacitor Performance With Superior Energy Density

Chanderpratap Singh, and Amit Paul*

*Department of Chemistry, Indian Institute of Science Education and Research (IISER) Bhopal, Madhya Pradesh, India

462066


We report transformation of a nonporous activated carbon (AC-1) to an ultramicroporous (0.56

nm)/microporous (1.15 nm) activated carbon (AC-K1) employing a simple chemical activation route at 750

°C. Brunauer-Emmett-Teller (BET) N2 adsorption/desorption experiments revealed a remarkable increase in

surface area (80 to 3030 m2 g-1) from precursor to successor material presumably due to enhanced accessibility

of reaction surface area on carbon material for oxidants to react. In consequence, 250 times specific capacitance

enhancement (2.5 to 605 F g-1 at 0.5 A g-1 current density) were observed in 2 M H2SO4 in three electrodes

configuration. In contrary, comparison between porous precursor nanomaterials (AC-2, and AC-3) and

successor nanomaterials (AC-K2 and AC-K3) didn’t provide significant enhancement in BET surface area

and electrochemical performances. In addition, a massive fourfold further specific capacitance (1589 F g-1)

enhancement was achieved by addition of electrochemically active redox molecule (hydroquinone) in

supporting electrolyte in comparison to as prepared AC-K1 (418 F g-1) in two electrodes configuration with

remarkable energy density of 221Wh kg-1. Notably, a simple potential dependent stabilization phenomenon of

hydroquinone redox chemistry in long term cyclic experiment (95% capacitance retention after 5000 cycles)

has been demonstrated wherein a strong applied electric field helped to avoid agglomeration of hydroquinone

molecules inside the nanomaterial.

References

(1) Xu, Y.-J.; Weinberg, G.; Liu, X.; Timpe, O.; Schlögl, R.; Su, D. S. Adv. Funct. Mater. 2008, 18, 3613.

(2)Segawa, Y.; Yagi, A.; Matsui, K.; Itami, K. Angew. Chem., Int. Ed. 2016, 55, 5136.

(3) Singh, C.; Paul, A. J. Phys. Chem. C2015, 119, 11382.

(4) Roldán, S.; Blanco, C.; Granda, M.; Menéndez, R.; Santamaría, R. Angew. Chem. Int. Ed. 2011, 50, 1699.

(5) Bard, A. J.; Faulkner, L. R. Electrochemical Methods: Fundamentals and Applications; Wiley: New York, 1980.


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P25

Role of Secondary Transition Metal (Co/Fe/Ni) Doping in MoC, WC systems for enhanced

Electrocatalytic HER Activity

Debabrata Bagchi, Soumyabrata Roy, Sebastian C. Peter

New Chemistry Unit, JNCASR, Jakkur, Bangalore-64, India

E-mail: [email protected],

Hydrogen is steadily emerging as the next generation fuel and as an alternative to the non-

renewable fossil fuels, due to its high abundance, energy density (143 kJ kg-1) and green nature.

Transition metal (Mo-, W-) carbide systems are well known for electro-catalytic hydrogen

evolution reaction (HER) activity due to their electronic properties, optimum proton adsorption

energy (ΔGHads) and good electro-catalytic stability. However, there is still a large scope to improve

the activities of such carbide systems in terms of electrical conductivity, current values and onset

potentials for electro-catalytic HER. To address these issues, we have developed an in-situ synthetic

strategy where we loaded finely-distributed transition metal (Fe/Co/Ni) doped Mo- and W-based

carbide materials on N- and P-doped graphitic carbon (NPGC) using polyoxometalates, melamine

and TM salts as the precursors through solid state synthetic routes. The samples have been

extensively characterized by PXRD, SEM-EDS, TEM, Raman and XPS studies. Electro-catalytic

HER studies showed a marked enhancement in the catalytic activity on doping the pristine Mo/W

carbide systems owing to the tuning of the electronic properties of the catalytic centres upon

interaction with secondary TMs. Moreover the doped TM (Fe/Co/Ni) tunes the d-band centre and

the free energy for proton adsorption (the first step of proton reduction) and improves the intrinsic

electronic properties of the catalysts for HER.

Reference

[1] Ya-Qian Lan et al J. Mater. Chem. A, 2016,4, 1202-1207

[2] Yipu Liu, Guangtao Yu, Guo-Dong Li, Yuanhui Sun, Tewodros Asefa, Wei Chen, and Xiaoxin Zou Angew. Chem.

Int. Ed. 2015, 54, 10752 –10757

P26

Cu2ZnSnS4 NANOPARTICLES FOR COST-EFFECTIVE SOLAR CELLS

Deepa K.G.*, Ramamurthy P.C.

Interdisciplinary Centre for Energy Research, Indian Institute of Science

E-mail([email protected])

Cu2ZnSnS4 (CZTS) nanoparticles are synthesized using hot injection method. Particles are prepared at

different durations such as 3, 6, 9 and 12h. CZTS phase with tetragonal kesterite structure is obtained for

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particles prepared in 3 hrs duration. Cu3SnS4 phase is prominent for films prepared in the durations of 6, 9 and

12 h together with CZTS phase. All the films showed traces of wurtzite structure. Band gap varied from 1.6 to

1.3 eV with increase in the synthesis time. The reduction in the band gap is due to the presence Cu3SnS4.

Preferred composition (21.9:13.1:14.9:50.1) is achieved by reducing both Cu and Sn concentrations and

increasing Zn concentration. XRD and Raman analysis of these samples confirmed the presence of Kesterite

Cu2ZnSnS4 structure. As in the previous case, peaks corresponding to wurtzite structure of CZTS are also

observed in these films. Secondary phases are absent in these samples and band gap of the film is ~ 1.5 eV.

The prepared CZTS nanoparticles have a size of ~ 6 nm.

P27

Synthesis and characterization of Ni@MnO2-rGO Nanocomposite forSupercapacitor

Application

Dhanush Shanbhag*, Bindu K, Aarathy A R, H.S. Nagaraja

1Department of Physics, National Institute of Technology Karnataka (NITK), P.O. Srinivasnagar, Surathkal, Mangaluru

575 025, India


Development of alternative energy conversion/ storage systems that can meet present day power demands has

accelerated due to the environmental issues and the depletion of fossil fuels. Electrochemical capacitor or

supercapacitor is a type of energy storage device that has a higher energy density than that of conventional

capacitor and a greater power density and a longer life cycle than those of battery.[1, 2]

This work reports the synthesis of Nickel doped MnO2 and rGO nanocomposite via single step hydrothermal

method and their application in Supercapacitors. The structural and morphological characteristics were studied

by X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM). XRD confirms the formation of tetragonal

α-MnO2 nanocomposite. Energy Dispersive X-ray Analysis (EDAX) shows the presence of carbon indicating

the presence of rGO. The electrochemical properties were studied using Cyclic voltammetry (CV) and

Galvanostatic Charge-discharge (GCD). The electrode exhibits high specific capacitance of 390Fg-1 at the scan

rate of 10mVs-1 in 1M Na2SO4 aqueous solution.

References:

1. Yu, G., et al., Enhancing the Supercapacitor Performance of Graphene/MnO2 Nanostructured Electrodes by

Conductive Wrapping. Nano Letters, 2011. 11(10): p. 4438-4442.

2. Dubal, D.P., et al., Hybrid energy storage: the merging of battery and supercapacitor chemistries. Chemical

Society Reviews, 2015. 44(7): p. 1777-1790.

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P28

Hole Transport Through CdS/Cu2S Core-Shell Nanorods In Tandem Junction Quantum Dot

Sensitized Solar Cells

Dibyendu Ghosh, Sayan Bhattacharyya*

Department of Chemical Sciences and Centre for Advanced Functional Materials, Indian Institute of Science Education

and Research (IISER) Kolkata, Mohanpur-741246, India

*Email: [email protected].

Counter Electrode (CE) is one of the integral parts of quantum dot sensitized solar cells (QDSSCs) in order to

reduce the polysulfide electrolyte [1-4]. Cu2S is a well established material for CE wherein different

microstructures and variable compositions of CuxS have been used. Here we have used CdS/Cu2S core/shell

nanorods to create a tandem structure with CdS QDs sensitized photoanode. Using CdS/Cu2S core-shell

nanorods the efficiency was improved from 3.2 to 4.5%. The solar cell performance shows significant

dependence on Cu2S shell thickness. Thicker shells show better performance than thin shells which could be

attributed to the feasibility of hole tunnelling through very thin core. Density functional theory (DFT) also

supports the experimental observations.

Figure: (a) Schematic, (b) FESEM image, (c) STEM-HAADF image and (d) EDS mapping of CdS/Cu2S core-

shell nanorods. Inset of (b) shows the digital image of core-shell nanorods grown on FTO.

References

[1] Radich, J. G.; Dwyer, R.; Kamat, P. V. Cu2S Reduced Graphene Oxide Composite for High-Efficiency Quantum

Dot Solar Cells. Overcoming the Redox Limitations of S2–/Sn2– at the Counter Electrode. J. Phys. Chem. Lett. 2011, 2,

2453–2460.

[2] Yang, Z.; Chen, C. –Y.; Liu, C. –W.; Li, C. –L.; Chang, H. –T. Quantum Dot–Sensitized Solar Cells Featuring

CuS/CoS Electrodes Provide 4.1% Efficiency. Adv. Energy Mater. 2011, 1, 259–264.

[3] Sahasrabudhe, A.; Kapri, S.; Bhattacharyya, S. Graphitic Porous Carbon Derived from Human Hair as 'Green' Counter

Electrode in Quantum Dot Sensitized Solar Cells; Carbon 2016, 107, 395–404.

[4] Ghosh, D.; Halder, G.; Sahasrabudhe, A.; Bhattacharyya, S. Microwave Synthesized CuxS and Graphene Oxide

Nanoribbon composite as Highly Efficient Counter Electrode for Quantum Dot Sensitized Solar Cells. Nanoscale 2016, 8,

10632–10641.

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P29

Visible Light Water Electrolysis with C, N, S Functionalized Zno Nanorods Photoanodes

DipanjanMaity*, KalyanMandal

Department of Condensed Matter Physics and Material Sciences, S N. Bose National Centre for Basic Sciences, Block

JD, Sector-III, Salt Lake, Kolkata-700106, India

E-mail [email protected], [email protected]

The designing of nanomaterials for photoelectrochemical water splitting is one of the most rising area of

research to tackle the energy challenges of the society. In this regard, We have fabricated highly oriented arrays

ZnO nano rods on the conducting surface of FTO (Fluorine doped Tin Oxide) by chemical bath deposition

followed by wet chemical method.We have further modified the surface of the ZnO nanorods with C, N and

S by chemical method. Under visible light irradiation photo current and photo stability of the surface

functionalized ZnO nano rods has significantly increased. Photo electrochemical water oxidation efficiency of

C-ZnO, N-ZnO and S-ZnO has increased by 6.5, 5.5 and 3 times respectively as compared to the pure ZnO

nano rods under visible light illumination (10mW.Cm-2, wavelength >420 nm, 0.5M Na2SO4). The study

demonstrated that surface fictionalization could be a general approach to oxide semiconductors to achieve high

performance visible light (solar) driven water splitting.

References

[1]Fujishima, A.; Honda, K. Electrochemical photolysis of water at a semi conductor electrode.Nature 1972, 238,

37−38.

[2] Keshab Karmakar, Ayan Sarkar, Kalyan Mandal, Gobinda Gopal Khan. Stable and Enhanced Visible Light Water

Electrolysis Using C, N and S Surface Functionalized ZnO Nanorod Photoanodes: Engineering the Absorption and

Electronic Structure. ACS Sustainable Chemistry and Engineering 2016.

P30

Synthesis of Non-Platinum Electrocatalyst for Fuel Cells

DipsikhaGanguly*, Kothandaraman Ramanujam, SundaraRamaprabhu

IIT MADRAS


Fuel cells are energy conversion devices that convert the chemical energy directly into electrical energy and

produces water and heat as its by-product [1].In order to synthesize a very good electrocatalyst, catalyst support

plays a very important role for fuel cell applications [2-3]. A good catalyst support should have high surface

area, strong affinity towards catalyst, good dispersion and stability of the catalyst even for long cycles,

corrosion resistance for long hour operation [4]. In the past few years Platinum based electrocatalysts have

gained lot of interest due to its high performance. Also various carbon based nanomaterial has emerged as a

potential support for the electrocatalyst due to its large surface area, high mechanical stability and good

electrical conductivity [4-5]. Stable Ceramic support materials have also been used for the corrosion resistant



74 | P a g e

property but due to its low conductivity performance of the fuel cell degraded compared to the carbon supports.

In order to have better dispersion and stability graphitic carbon supports have been functionalized using various

techniques. Here we have synthesised non precious metal catalyst based on Nickel with different catalyst

supports. We have shown the how changing the supports also influence the performance of fuel cells. It also

can enhance the performance of Non-Pt electrocatalysts based fuel cells. We have used CNT, Graphitic carbon

nitride, Titanium dioxide as different supports for Nickel catalyst and compared the performance of the fuel

cells.

References:

[1] Steele, B.C. and Heinzel, A., 2001. Materials for fuel-cell technologies. Nature, 414(6861), pp.345-352.

[2] Shao-Horn, Y., Sheng, W.C., Chen, S., Ferreira, P.J., Holby, E.F. and Morgan, D., 2007. Instability of supported

platinum nanoparticles in low-temperature fuel cells. Topics in Catalysis, 46(3-4), pp.285-305.

[3] Shao, Y., Yin, G. and Gao, Y., 2007. Understanding and approaches for the durability issues of Pt-based catalysts for

PEM fuel cell. Journal of Power Sources, 171(2), pp.558-566.

[4] Antolini, E., 2009. Carbon supports for low-temperature fuel cell catalysts. Applied Catalysis B:

Environmental, 88(1), pp.1-24.

[5] Weber, A.Z., Borup, R.L., Darling, R.M., Das, P.K., Dursch, T.J., Gu, W., Harvey, D., Kusoglu, A., Litster, S., Mench,

M.M. and Mukundan, R., 2014. A critical review of modeling transport phenomena in polymer-electrolyte fuel

cells. Journal of The Electrochemical Society, 161(12), pp.F1254-F1299.

P31

Synthesis of Nickel Oxide Nano particle embedded in carbon matrix from [Ni(salen)] as a

potential material for Supercapacitor and Dye degradation application

Duraisamy E, Prasath A, Selva sharma A and Elumalai P* Department of Green Energy Technology, Pondicherry

University, Pondicherry –14


Nickel oxide embedded in carbon matrix are synthesized by treatment of Nickelsalen complex at 800°C at

argon atmosphere. The structure and properties were examined with X-Raydiffraction (XRD), Transmission

Electron Microscope (TEM), Scanning Electron Microscope (SEM), RAMAN, and Infrared Spectroscopy

(IR). XRD confirms the presence of NiO nanoparticle in the carbon matrix prepared sample. SEM exhibits

smaller particle sizes with larger surface areas and better homogeneity of composite structures. TEM show

that the NiO nanoparticle embedded in the carbon matrix. Then, the supercapacitor electrode was fabricated

using active material (working electrode), Hg/HgO (reference electrode) and platinium plate (counter

electrode). The working electrode was prepared by mixing active material (Nickel Oxide in carbon matrix),

SPcarbon,and Na-alginate (binder), in a weight ratio of 60:30:10 %. Cyclic voltammograms and galvanostatic

charge-discharge studies were done to evaluate electrochemical performance of the material. Further the

catalytic property of the material was evaluated by performing photocatalytic degradation of dye under UV

75 | P a g e

light irradiation. The structure analysis of ligand and complex was done using NMR, UV and IR spectral

studies.

References

[1] Chang H. K. and Kim B H, Journal of PowerSources, 2015, 274, 512-520.

[2] Duraisamy E., Gurunathan P., Das H. T., Ramesha K., and Elumalai P, Journal of Power Sources, 2017, 344, 103-

110.

[3] Jing D., Cheng F., Wang S., Zhang T. and Chen J, ScientificReports, 2014, 4, 1-7.

[4] Shiwen Wang, Jing Du, Qi Jin, Tianran Zhang, Fangyi Cheng, and Jun Chen,Nano Lett2014, 14, 153−157.

[5] A. Prasath and P. Elumalai, ChemistrySelect , 2016, 1, 3363-3366.

P32

Electrochemical Activity of Pt-Ni and Ni on Nitrogen Doped Carbon Nanofiber Support

Towards Oxygen Reduction Reaction

Guruprasad S Hegde, G Meenakshi Seshadhri, Sundara Ramapabhu*

Department of Physics, Alternative Energy and Nanotechnology Laboratory, Nano-Functional Materials Technology

Centre, Indian Institute of Technology Madras, Chennai, Tamil Nadu 600036, India

E-mail:*[email protected]

Polymer electrolyte membrane fuel cells (PEMFCs)are excellent alternative energy sources since they have no

moving parts, use clean hydrogen fuel and their by-product is water. Buthigh over potentialsof oxygen

reduction reaction (ORR) at the cathode and high cost of platinum based catalysts have hindered the

commercialization of PEMFCs. Various alloys of Pt like Pt-M (where M is Fe, Ni, Co), and Pt free materials

are being explored for this reason [1].Among Pt free catalysts, nitrogen doped carbon nanostructureslike N

doped Carbon nanofibers(NCNFs) have been reported to have good catalytic activity towards ORR [2].In this

regard, the present work is concentrated towards synthesis ofPt-Ni alloy and nickel nanoparticles on N doped

carbon nanofiber support and the study of synergetic changes in oxygen reduction reaction kinetics.

References:

[1] Nie, Y.; Li, L.; Wei, Z. Recent Advancements in Pt and Pt-free catalysts for Oxygen Reduction Reaction Chem.

Soc. Rev., 2015, 44, 2168-2201

[2] Liu, Q.; Wang, Y.; Dai, L.; Yao, J.Scalable Fabrication of Nanoporous Carbon Fiber Films as Bifuctional

Catalytic Electrodes for Flexible Zn-Air Batteries.Adv. Mater.2016, 28, 3000-3006

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P33

Electro-synthesis of Cobalt hydroxide Decorated ZnO Nanorods for Hybrid Energy-Storage

Device Applications

HimadriTanaya Das, Sreejith P Babu and PerumalElumalai*

Electrochemical Energy and Sensors Lab, Department of Green Energy Technology,

Madanjeet School of Green Energy Technologies, Pondicherry University, Pondicherry- 605014 India

E-mail: [email protected]; [email protected] (P. Elumalai)

Recently, the UNO has tabled 17 issues under “Sustainable Development Goals (SDGs)” which include

affordable and clean energy. Electrochemical energy storage is one of the mandatory solutions to meet the

world energy demand. High energy density and power density devices are required for the efficient use of

renewable energy sources. So to achieve high energy density ZnO (EDLC) and high power density Co(OH)2

(pseudocapacitor) nanocomposite has been examined in this work. The ZnOnanorods are electrodeposited on

the carbon cloth. Further, the Co(OH)2 was electrodeposited on the ZnOnanorods to obtain the Co(OH)2

decorated on ZnOnanorods. Then characterization of the electrochemically synthesized Co(OH)2@ZnO-

nanorods was performed by X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM)

and energy dispersive spectroscopy (EDS). Further, the electrochemical properties investigations were done

by cyclic voltammetry (CV).

It was found that the sample was electrochemically active. Interestingly, it was seen that one oxidation peak

and two reduction peaks. This may be combined effect Co(OH)2 and ZnO in KOH. As usual, the anodic and

cathodic peak currents increases with the scan rate. It can be seen in CV curves that there is remarkable charge

storage. It is believed that ZnO-nanorods provides easy

diffusion or charge transport pathway for the Co(OH)2 in the

KOH electrolyte. Further

electrochemicalsupercapacitorstudies were done in details.

ThusCo(OH)2@ZnO-nanorods can be used asa promising

electrode for supercapacitor application.

References

[1] Wang, Y; Yang, W; Zhang, S; Evans, D-G; Duan, X.

Synthesis and Electrochemical Characterization of Co–Al Layered Double Hydroxides. J. Electrochem.

Soc.2005, 152, A2130-A2137.

[2] Vinothbabu, P.;Elumalai, P. Tunable Supercapacitor Performances of Potentiodynamically Deposited Urea-

doped Cobalt Hydroxide. RCS Adv.2014,4, 31219-31225.

[3] Karthik Kiran, S;Padmini, M; HimadriTanaya Das andElumalai, P. Performance of asymmetric

supercapacitor using CoCr-layered double hydroxide and reduced graphene-oxide. J Solid State

Electrochem.2017, 21, 927938.

CV-Co(OH)2@ZnO

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P34

Anatase Tio2 as an Anode Material for Rechargeable Aqueous Aluminum-ion Batteries:

Remarkable Graphene Induced Aluminum Ion Storage Phenomenon

HomenLahan, RatanBoruah and Shyamal Kumar Das*

Department of Physics, Tezpur University, Assam 784028, India

Email: [email protected], [email protected]

Over past few decades, it has been seen that the use of energy consumption is increasing day by day, whereas

its storage and production is not as much as compared to its consumption. The worldwide survey shows that

the energy consumption of electricity is over 18% behind coal/petroleum and natural gas [1]. So, it has become

an immense necessity for the researchers to come up with a better idea in order to tackle this problem. Today,

we can see how the world is developing so fast day by day, minute after minute, even every second counts.

We can notice it through the electronic community that we are surrounded with, every cell phone is being

replaced with better technology in the very next day, every television, electrical and electronic devices, even

nowadays cars are being replaced with better technology in the very next morning. If we have a close look on

the word “better technology”, where it comes from, one component is storage and on-demand supply of energy

or electricity. Keeping in mind on this “better technology”, batteries, fuel cells and supercapacitors are drawing

a great interest on the researcher’s mind, as a source of energy storage and generation [2]. Moreover, it has

been seen that more and more use of Li-ion based batteries will make it extinct one day or will become limited.

So, the study of Na-ion based batteries and Al-ion based batteries has become an urgent need for the researchers

so that they can explore it beyond Li-ion batteries [3].

Currently, here, we tried to study the complex behavior of Al3+ ion storage behavior in anatase TiO2 using

aqueous electrolyte. It has been seen that the diffusion of Al3+ in TiO2 is very less whereas there is a remarkable

change of Al3+ diffusion in TiO2 by addition of small amount of graphene. Calculations show that graphene

enhances Al3+diffusion coefficient in TiO2 by 672 times. Later on, the structural morphology and surface

composition were characterized by using XRD, SEM and TEM microscopy. The electrochemical

performances were evaluated by using cyclic voltammetry, galvanostatic charge-discharge cycles and

electrochemical impedance spectroscopy [4].

References:

1. www.wikipedia.org

2. Yu, A.; Chabot, V.; Zhang, J; Electrochemical supercapacitors for energy storage and delivery; CRC Press:

London, 2013; 1-34.

3. Das, S. K.; Mahapatra, S.; Lahan, H.; Aluminium-ion batteries: developments and challenges

J. Mater. Chem. A,2017,5, 6347-6367.

4. Lahan, H.;Boruah, R.; Das, S. K.;Anatase TiO2as an anode material for rechargeable aqueous aluminium-ion

batteries: remarkable graphene induced aluminium storage phenomenon, J. Phys. Chem. C (under review).



http://www.wikipedia.org/

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P35

Mechanical Activation in Reduced Graphite Oxide/Boron Nitride Nanocomposite

Electrocatalyst for Significant Improvement in Dioxygen Reduction

Indrajit M. Patil, Moorthi Lokanathan and Bhalchandra Kakade*

SRM Research Institute, SRM University, Kattankulathur - 603 203, Chennai (India)


We have shown here, an inert hexagonal boron nitride (h-BN) becomes active towards oxygen reduction

reaction (ORR) after functionalization with carbonaceous materials; i.e. nanocomposite formation with

mechanically activated reduced graphite oxide (rGO). The nanocomposite of rGO with boron nitride (rGO/BN)

was prepared in a simple one step hydrothermal method. The surface area of the resultant composite was

enhanced by mechanical activation in pristine GO (GO-BM). The specific surface area of a bare GO and GO-

BM were observed to be 500 m2.g-1 and 552 m2.g-1 resp., signifying the increased surface area and pore size in

the case of GO-BM sample, after mechanical activation. Interestingly, the as-synthesized rGO/BN composite

catalyst exhibits significant oxygen electroreduction kinetics in terms of onset potential (Eonset = 0.89 V versus

RHE), half-wave potential (E1/2 = 0.74 V) and limiting current density (JL = 4.4 mA cm-2) with a single step ~

4-electron transfer pathway in alkaline medium. Importantly, the rGO/BN nanocomposite shows excellent

tolerance towards both methanol oxidation and CO poisoning. Additionally, it shows a better relative current

stability (95% retention) than commercial Pt/C catalyst, signifying immense selectivity and durability towards

ORR kinetics. The high catalytic activity of rGO/BN nanocomposite was mainly attributed due to the high

surface area as well as synergistic mechanism between the h-BN and carbon network of rGO, consequential

into active centers for ORR kinetics. Hence, it could be a potential cathode catalyst to replace precious-metal

based catalysts in alkaline fuel cell applications.

References

[1] Patil, I.; Loganathan, M.; Kakade, B. A. Three Dimensional Nanocomposite of Reduced Graphene Oxide and

Hexagonal Boron Nitride as an Efficient Metal-Free Catalyst for Oxygen Electroreduction. J. Mater. Chem. A 2016, 4,

4506-4515.

[2] A. J. Bard and L. R. Faulkner. Electrochemical Methods: Fundamentals and Applications; 2nd edn.; Wiley: New

York, 2000

P36

Electrocatalytc Water Splitting with One-dimensional Transition Metal Carbide Nanorods

Jayeeta Saha, Subramaniam Chandramouli*

Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, INDIA.


Hydrogen is the fuel of future. Generation of H2 through steam-reforming process leads to increase greenhouse

emissions. In this context, the electrolysis of water presents an environment friendly, CO2-free alternative


79 | P a g e

source for hydrogen generation. However, the best know materials to electrocatalytically split water and evolve

hydrogen remain expensive, noble metal group metals and their alloys. We demonstrate a new material, in the

form of nanorods of two-dimensional transition metal carbides, as potential candidates to address this quest

for non-metallic, hydrogen-evolution catalysts. Specifically, we fabricate nanorods of Ti3AlC2 (length ~ 5

m; diameter ~ 40 nm) by controlled sintering of its MAX phase. The thermodynamically controlled growth

of nanorods proceeds from the selective etching of the bulk MAX material. Such nanorods exhibit

electrocatalytic activity for both hydrogen-evolution and oxygen reduction reactions, unlike conventional

materials like noble group metal catalyst and MoS2 that are active to only either HER or ORR. The

electrocatalytic activity initially increases, followed by saturation after 15 min. Accordingly, the Tafel slop for

HER reduces from an initial value of 83 mV/dec to 60 mV/dec. X-ray photoelectron spectroscopy and Raman

analysis are carried out to ascertain the site and mechanism of the electrocatalytic pathway.

References

[1] Chen, W. F.; Muckerman, J. T.; Fujita, E. Chem. Commun. 2013, 49, 8896-8909

[2] Liu, W.; Du, H.; Xhang, X.; Yang, Y.; Gao, M.; Pan, H. Chem. Commun. 2016, 52, 705-708

[3] Zhang, Z.; Li, H.; Zou, G.; Fernandez, C.; Liu, B.; Zhang, Q.; Hu, J.; Peng, Q. ACS Sustain. Chem. Eng. 2016, 4,

6763−6771

[4] Subbaraman, R.; Tripkovic, D.; Strmcnik, D.; Chang, K.-C.; Uchimura, M.; Paulikas, A. P.; Stamenkovic, V.;

Markovic1 N. M. Science 2011, 334, 1256-1260

[5] Jaramillo, T. F.; Jørgensen, K. P.; Bonde, J.; Nielsen, J. H.; Horch, S.; Chorkendorff, I. Science 2007, 317, 100-102

P37

Three-in-one approach towards efficient organic dye-sensitized solar cells: aggregation

suppression, panchromatic absorption and resonance energy transfer

Jayita Patwari and Samir Kumar Pal *

Department of Chemical, Biological and Macromolecular Sciences, S. N. Bose National Centre for Basic

Sciences,Block JD, Sector III, Salt Lake,Kolkata 700 106, India

E-mail: [email protected] (S. K. Pal))

Co-sensitization to achieve broad absorption window is a popular technique in light harvesting material

synthesis. Protoporphyrin (PPIX) and squarine (SQ2) are two organic sensitizers absorbing in visible and NIR

wavelength of solar spectra respectively and the Forster resonance energy transfer (FRET) between these two

dyes has been found to enhance the photovoltaic as well as photocatalytic efficiency, in the present work.

FRET from the donor PPIX to acceptor SQ2 was observed from ultrafast spectroscopic studies. Dye sensitized

solar cells (DSSC) has been fabricated using PPIX and SQ2 as co-sensitizers of TiO2 photo-anode. The Current

- Voltage (I-V) characteristics and the wavelength dependent photocurrent measurements of the DSSCs reveal

that FRET between the two dyes increase the photocurrent and consequently overall efficiency of the solar

cell.From the absorption spectra of the co-sensitized photoanodes, PPIX was observed to be efficiently acting

as a co-adsorbent and to reduce the dye aggregation problem of SQ2. Thus, apart from increasing the

80 | P a g e

absorption window, the FRET induced enhanced photocurrent and behaviour of PPIX as a good anti-

aggregating co-adsorbent of SQ2 are the crucial points that improve the performance of the co-sensitized

DSSC. The same dye pair was performing good photo-catalysis upon attachment to ZnO nanoparticle surface.

Incretion of different d block metal ions can change the entire photo responsive ultrafast dynamical events in

metalloporphyrin systems. To tune the FRET probability with SQ2, porphyrin has been metalated with one

d10 (Zn II) and another d7 (Co II) metal ion. In case of PP(Co), the extensive ligand to metal charge transfer

counteract the FRET possibility with SQ2 while efficient FRET has been observed for PP(Zn)-SQ2 pair and

the same effect has been justified by the comparison of the catalytic activities of the co-sensitized nanohybrids

using different metaloporphyrins as the co-sensitizers of SQ2. Dipole-dipole coupling has been proved to be

the key role modulating the photocatalytic activity of the novel co-sensitized photocatalysts.

References

[1] Jayita Patwari, Samim Sardar, Bo Liu, Peter Lemmens, and Samir Kumar Pal “Three-in-one approach towards

efficient organicdye-sensitized solar cells: aggregation suppression,panchromatic absorption and resonance energy

transfer.”Beilstein J. Nanotechnology 2017, 8, 1705–1713.

P38

Computational Investigation in Organic Semiconductors: From Single Molecule Charge

Transport to Singlet Fission

Kalishankar Bhattacharyya1, AyanDatta*1

1Indian Association for the Cultivation of Science,Jadavpur,Kolkata 700 032, West Bengal, India


By using computational inspection, we are able to identify the smallest PAH with the necessary optoelectronic

properties. By judicious selection of the both heteroatom and functional groups, we can able to tune the

physical properties of the materials making them amenable for better use in organic solar cell.1-3Based on the

classical MD and DFT calculations, We have investigated the electronic and charge transport properties of two

regioisomeric contorted PAH on the basis of an incoherent charge hopping model.1Singlet Fission(SF)

generates two electron-hole pairs from the absorption of a single photon.2 SF produces the separation of an

excited singlet state into two triplet state, thus generating two charge carrier instead of one. This spin-allowed

theoretical doubling of the number of excitons, coupled with the longer lifetimes expected of triplet

excitons,can lead to a greater number of charge carriers in an organic photovoltaic device.This represents one

of the most effective strategies to harvest solar energy in artificial solar cells. Acene type molecules like

tetracene, pentacene,rubrene have been shown to undergo excellent SF properties. We have shown that

monosilicon substitution in central ring of anthracene is found to be the smallest PAH predicted to exhibit

SF.The role of indirect charge transfer coupled singlet-fission is also being investigated. We demonstrated how

SF is strongly perturbed by even small variations in molecular packing for polymorphic crystals of

triisopropylsilyethnyl-anthracene derivatives, (TIPS-Anthracene).3

Reference:


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1. K. Bhattacharyya,S. M. Pratik and A. Datta.J. Phys. Chem. C2015,119, 25696.

2. K. Bhattacharyya, T. K. Mukhopadhyay and A. Datta. Phys. Chem. Chem. Phys. 2016, 18, 14886.

3. K. Bhattacharyya and A. Datta. J. Phys. Chem. C2017, 121, 1412

P39

Porous Nickel Telluride Nanosheets as Bifunctional Electrocatalyst

Karthik S Bhat*, H S Nagaraja

Department of Physics, National Institute of technology Karnataka- Surathkal


Electrochemical water splitting technology has attracted researchers for the developmentof next generation

fuels [1]. Herein, we report the synthesis of nanostructured porous hollownickel telluride nanosheets and their

use as bifunctional electrocatalyst towards hydrogenand oxygen evolution reaction (HER and OER),

anticipating an enhanced performance owing to their 2Dsheet like morphology, metallic structures,

conductivity, porous nature providing larger catalytic surface forwater splitting reaction [2]. In this regard,

nickel telluride nanostructures were synthesized viaan anion-exchange-reaction between pre-synthesized

nickel hydroxide hexagonal nanosheetsand tellurium ions under hydrothermal conditions. The as-synthesized

nanostructureswere characterized for structural, morphological and compositional properties using XRD, BET,

SEM, HRTEM and EDAX spectroscopy.

Nickel telluride modified electrodes were tested as bifunctional electrocatalyst underacidic and alkaline

conditions towards HER and OER respectively, through linear sweep voltammetry and constant

currentchronopotentiometry methods. The modified electrodes revealed an onset potentialof -422 mV and 87.4

mV dec-1 Tafel slope towards HER and overpotential of 679 mV and151 mV dec-1 Tafel slope towards OER[3].

The lower onset potentials are complimented withexcellent electrocatalytic stability. Finally, the charge

transfer characteristics were evaluated with Electrochemical Impedance spectroscopy.

References

1. Walter, M. G.; Warren, E. L.; McKone, J. R.; Boettcher, S. W.; Mi, Q.; Santori, E. A.; Lewis, N. S., Solar water

splitting cells. Chemical reviews 2010,110 (11), 6446-6473.

2. Bissett, M. A.; Worrall, S. D.; Kinloch, I. A.; Dryfe, R. A. W., Comparison of Two-Dimensional Transition

Metal Dichalcogenides for Electrochemical Supercapacitors. Electrochimica Acta 2016,201 (Supplement C), 30-37.

3. Bhat, K. S.; Barshilia, H. C.; Nagaraja, H. S., Porous nickel telluride nanostructures as bifunctional

electrocatalyst towards hydrogen and oxygen evolution reaction. International Journal of Hydrogen Energy 2017,42 (39),

24645-24655.

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P40

Photocatalytic Activity of Tantalum based Layered Perovskite with Enhanced Stability:

Bi4TaO8Br

KaustavChatterjee, Dr.Ujjal K. Gautam*

IISER, Mohali, Knowledge city, Sector 81, SAS Nagar, Manauli PO 140306

E-mail: [email protected], [email protected]

Mixed anion compounds are known to be effective photocatalyst for visible light-induced water splitting, but

the available materials have been almost limited to oxynitrides1. Here, we exhibit a Tantalum based oxyhalide

Bi4TaO8Br, a single layer Sillen–Aurivillius2 perovskite, is a stable and efficient photocatalyst under visible

light with band gap ~2.52eV, enabling enhanced degradation of toxic pollutant- Rhodamine B.Bi4TaO8Br has

been prepared usinga solvothermalfollowed by a solid-state reaction3 and characterized by XRD, SEM, and

UV-Vis DRS.Further, it’s activity has been enhanced with the help of loading metal nanoparticles as co-

catalyst4 by up to three times compared to commercial P25 TiO2(Degussa). Using aqueous Rhodamine-B

(RhB) solutions, photocatalytic activity of these catalysts was studied under solar irradiation. We have further

examined its electronic band structure, which explicit that the valence band maximum of Bi4TaO8Br is

unusually high, owing to highly dispersive O-2p orbitals (and not Br-4p orbitals), affording a narrow band gap

and possibly the stability against photocorrosion. This study suggests that Sillen–Aurivillius perovskite

oxyhalides is a promising system for versatile band level tuning for establishing efficient water-splitting under

visible light.

References

[1] Higashi, M.; Domen, K.; Abe, R., J. Am. Chem. Soc 2013,135, 10238.

[2] Kusainova, A. M.; Zhou, W.; Irvine, J. T. S.; Lightfoot, P., J.Solid State Chem. 2002,166,148.

[3] Fujito, H.; Kunioku, H.; Kato, D.; Suzuki, H.; Higashi, M.; Kageyama, H.; Abe, R., J. Am. Chem. Soc 2016,138, 2082.

[4] Yang, J.; Wang, D.; Han, H.; Li, C., Acc. Chem. Res. 2013,46,1900.

P41

Electrochemical Impedance Studies of Capacity Fading of Electrodeposited ZnO Conversion

Anodes in Li-ion Battery

G. K. KIRAN1,*, TIRUPATHI RAO PENKI2, N. MUNICHANDRAIAH2, and P. VISHNU KAMATH1

1 Department of Chemistry, Central College, Bangalore University, Bangalore 560 001, India

2 Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560 012, India


Electrodeposited ZnO coatings suffer severe capacity fading when used as conversion anodes in sealed Li

cells. Capacity fading is attributed to (i) the large charge transfer resistance, Rct (300 – 700 ) and (ii) the low

Li+ ion diffusion coefficient, DLi+ (10-15 – 10-13 cm2 s-1). The measured value of Rct is nearly ten times higher



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and DLi+ ten to hundred times lower than the corresponding values for Cu2O, which delivers a stable reversible

capacity.

References

(1) Kiran, G. K.;Penki, T.R.; Munichandraiah, M.; Kamath, P. V.; Bull. Mater. Sci. 2017, 40, 427-434.

P42

Broadband Photodetector based on Hydrothermally Synthesized Reduced Graphene Oxide

Kishan L. Kumawat, Mustaque A. Khan, K. K. Nanda, S. B. Krupanidhi

Material Research Centre, Indian Institute of Science


Reduced graphene oxide (RGO) has successfully been synthesized from graphene oxide by hydrothermal

method. Unlike other RGO synthesis, we solely use deionized water without any toxic additives like hydrazine,

L-Ascorbic acid, Na/Liq NH3, etc[1]. Thus the synthesis is environment-friendly and cost effective. The

fabricated RGO device exhibits excellent stable and reproducible photoresponse properties ranging from UV-

Vis to near IR. Responsivity and EQE values were found to be0.71, 0.733, 0.230, 0.313 A/W and 57, 85, 88,

&120 % with 1550, 1064, 632 & 325nm, wavelength excitation respectively. Thus, these results suggest that

RGO can be a potential material for low-cost, environment-friendly broadband photodetectors.

Reference:

1. Solution processed reduced graphene oxide ultraviolet detector.Basant Chitara, S. B. Krupanidhi, C. N. R. Rao,

Applied Physics Letters 2011, 99 (11), 113114.

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P43

Design and Synthesis of Nanocages of g-C3N4 using DFNS as a Hard Template for

Photocatalysis

Krishna Kant Vishwakarma, Prof. Vivek Polshettiwar*

Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), Mumbai, India.

E-mail:[email protected], [email protected]

Hydrogen gas is a promising alternative forclean and renewable energy.Photocatalysis is one of the efficient

route for producing H2 using water and sunlight. For commercial production of H2, besides the higher activity

of the catalyst, it should also be ecofriendly, stable and able to absorb light in visible region. Recently,

polymeric g-C3N4 has become a focus of attention for photocatalytic reactions[1]because it is

ecofriendly,ubiquitous[2], cheap, lower band gap(2.7eV) and high physiochemical stability. However, g-C3N4

suffers from lower surface area which affects the photocatalytic performance[3]. The surface area can be tuned

by designing porous materials by nano-templating and nano-casting approach[4]. Recently J. Liu and

coworkers prepared a robust porous g-C3N4 combined with carbon dots (C-dots) for total water splitting[5].

The robustness comes from C-dots which preventing the catalyst from deactivation due to poisoning by

generated H2O2. Here we have synthesized g-C3N4/DFNS doped with C-dots using dendritic fibrous nano-

silica (DFNS) as a hard template. DFNS is a nano-silica material having dendritic fibrous morphology with

high surfacearea. Synthesis and photocatalysis results of g-C3N4/DFNS will be presented in this poster.

References

1. S.Yea, R.wanga, M-Z.Wuc, Yu-Peng Yuana, Applied Surface Science2015, 358, 15–27.

2. M. K. Bhunia, S.Melissen, M. R. Parida, P. Sarawade, J.-M. Basset Dalaver H. Anjum, O. F. Mohammed, P. Sautet,

T. L. Bahers, and K. Takanabe, Chem. Mater. 2015, 27, 8237−8247.

3. X. Chen, D-H. Kuo and D. Lu, RSC Adv., 2016, 6, 66814-66821.

4. W-J. Ong, L-L. Tan, Y. Hau Ng, S-T. Yong and S-P. Chai, Chem Rev. 2016, 116, 7159-7329.

5. J. Liu, Y. Liu, N. Liu, Y. Han, X. Zhang, H. Huang, Y. Lifshitz, S.-T. Lee J. Zhong, Z. Kang, Science 2015, 347,

970.

P44

Optimization of Li content in LiFePO4 cathode: Importance of non-stoichiometry

Kruti K. Halankar*, B. P. Mandal*, A. K. Tyagi

Chemistry Division, Bhabha Atomic Research Centre, Mumbai – 400085


Olivine structured lithium iron phosphate (LiFePO4) is found to be an excellent cathode electrode

material for lithium ion batteries. In the present work, four composite cathode LiFePO4/C (A),

Li1.02FePO4/C (B), Li1.05FePO4/C (C) and Li1.10FePO4/C (D) were synthesized by sol gel method

followed by reduction in Ar:H2 (92:8) gas mixture at higher temperature. During synthesis at higher

temperature, loss of lithium takes place. In order to compensate the loss, excess Li was added at the




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time of synthesis LixFePO4(x=1, 1.02, 1.05, 1.10). The phase purity of the products was confirmed

by XRD. The particle size, morphology, and surface structure of the samples were characterized by

SEM. Raman spectra recorded on all the samples signify not much difference in the character

(including graphitic nature and electronic conductivity) of the carbon-coatings. Electrochemical

performances of all the samples have been characterized by Galvanostatic charge-discharge test, CV

and EIS. Charge-discharge test indicates that slight excess of lithium is necessary to obtain superior

perfromance. Cyclic voltammetry (CV) technique was used for studying the phase transformation

and ionic diffusion process during electrode reactions. EIS data suggests that the electrode based on

sample C possess the least charge transfer resistance. Over all, the electrochemical performance of

sample C (x=1.05) was found to be superior to other samples.

References

[1] K. Padhi, K. S. Nanjundaswamy and J. B. Goodenough, J. Electrochem. Soc. 144 (1997)1188.

[2] K. S. Dhindsa, B.P. Mandal, K. Bazzi, M. W. Lin, M. Nazri, G.A. Nazri, V. M. Naik, V. K. Garg, A.C. Oliveira,

P.Vaishnava, R. Naik, Z.X. Zhou, Solid State Ionics 253 (2013) 94–100.

[3] M. K. Satam, R. Natarajan, S. Kobi, M. K. Jangid, Y. Krishnan, A. Mukhopadhyay, Scripta

P45

Effect of Chalcogen Atom Substitution on the Opto-Electronic and Photovolatic Properties of

Donor-Acceptor Small Organic Molecules

Labanya Bhattacharya, Sridhar Sahu*

Department of Applied Physics, Indian Institute of Technology (Indian School of Mines), Dhanbad, Jharkhand-826004,

India


A theoretical study is reported for tuning the HOMO-LUMO gap as well as photovoltaic parameters by

changing the electron accepting ability of the acceptor unit by substituting chalcogen atoms(S and Se). Three

donor-π-acceptor-π(D-π-A-π) type conjugated small organic molecules containing methyl-substituted

benzodithiophene as donor unit, fluorinated thiophene as π-spacer, fluorinated quinoxaline, fluorinated

benzothiadiazole and fluorinated benzoselenadiazoleas different acceptor units are designed for bulk

heterojunction organic solar cell. The ground and excited states properties of designed oligomers are evaluated

via density functional theory (DFT) and time dependent density functional theory (TD-DFT) respectively. The

parameters such as chemical potential(µ), electronegativity(χ), frontier molecular orbital (FMO) analysis,

HOMO-LUMO gap, open circuit voltage (Voc), driving force energy (∆E), intensity of optical absorption

spectra are calculated to investigate the effect of chalcogen atom substitution on the quantum chemical,

electronic-structural, photovoltaic and optical properties. It is found that HOMO-LUMO gap and driving force

energy (∆E)is smallerin case of selenium-substituted molecule than others inferring it’sbetter photovoltaic

properties.


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References

[1] Scharber, M.C.;Muhlbacher, D.;Koppe, M; Denk, P;Waldauf, C; Heeger, A. J;Brabec, C.J. Design Rules for Donors

in Bulk-Heterojunction Solar Cells- Towards 10% Energy-Conversion Efficiency. Adv. Mater.2006,18,789-794.

[2] Pandey, L.; Risko, C.; Norton, J.E.; Bredas, J. L. Donor-Acceptor Copolymers of Relevance for Organic

Photovoltaics: a Theoretical Investigation of the Impact of Chemical Structure Modifications on the Electronic and

Optical Properties. Macromolecules.2012,45,6405-6414.

[3] He, X.; Cao, B.; Hauger, T.C.; Kong, M.; Gusarov, S.; Luber, E.J.;Buriak, J.M. Donor Acceptor Small Molecules for

Organic Photovoltaics:Single-atom Substitution (Se or S). ACS Appl.Mater. Interfaces.2015,7,8188-8199.

[4]Yao, H.; Ye, L; Zhang, H; Li, S; Zhang, S; Hou, J. Molecular Design of Benzodithiophene- Based Organic

Photovolatics Materials. Chem. Rev.2016,116,7397-7457

P46

Synthesis of Luminescent, Hollow Microspheres of Ceramic Materials for Thermometric

Measurements

Lothar Bischoff, Michael Stephan, Christina S. Birkel, Christian F. Litterscheid, Andreas Dreizler and Barbara Albert

Eduard-Zintl-Institute of Inorganic and Physical Chemistry, Technische Universität Darmstadt, Alarich-Weiss-Str. 12,

64287 Darmstadt (Germany)


In this work a synthesis route to multiscale, luminescent hollow microspheres of ceramic materials is presented.

The particles produced have a mean diameter of ~25 µm (Figure 1) combined with a very thin wall-thickness.

Different possible applications are envisioned, i.e. as drug carrier, in catalysis, or for particle image

velocimetry. Europium doped yttrium oxide (Y2O3:Eu) was used as test compound because it is a well-known

thermographic phosphor and an ideal model system. The synthesis is based on a urea-based precipitation, and

a series of hollow microspheres of Y2O3 doped with Eu in a range between 1 % and 12 % Eu was prepared.

The optimal doping level is 8 % of Eu leading to the highest emission intensity. The low-density particles were

aerosolized, and excited by UV-laser light while floating in an optically accessible heating chamber. The

emission of the hollow microspheres allowed temperature measurements. Thus, the method of gas phase

thermometry can be improved significantly by using hollow particles of phosphors. Moreover, the new

synthesis protocol proved to be transferable to other ceramic materials.


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P47

Efficient Strategies towards NASICON based Energy Storage Systems: A Theoretical Analysis of

Thermodynamic Stability & Kinetic Pathways

Madhulika Mazumdar and Swapan K Pati

JNCASR, Bangalore

The exploration of electrochemical properties of layered NASICON type materials promises an unbridled

future for efficient Electrical Energy Storage (EES) systems which can address the current global energy

crises. Na ion is a good improvement upon LIB (Lithium Ion Battery) technology, owing to its similarity with

Li in chemical properties, coupled with the factors of abundance, cost and safety. Many layered structures

with the Na(3/4)M2(PO4)3) framework have recently been studied that could be used as novel high-

performance electrodes; among them, the NASICON type NMV (NaMV(PO4)3) materials is a promising

candidate. The NASICON structure provides large ionic sites for reversible intercalation/de- intercalation of

ions and the presence of distinct voltage plateaus allows NMV’s to be utilized as multifunctional electrodes.

We investigate a series of NMM’(PO4)3 (M=Mn,Fe,Ni,Ti,Nb ; M’ = V,Mn,Fe,Ti,Nb …) template

compounds (both pristine and fractionally substituted), using First Principles Density Functional Theory to

gain an insight into their structural stabilities and electronic properties. Besides thermodynamic parameters,

kinetic studies of ion migration pathways have also been looked into, to provide a detailed understanding of

the mechanisms and how they could be utilized, to propose more efficient strategies in SIB technology.

References:

1. Zhou, Goodenough, et al, Nano Lett. 2016, 16, 7836−7841.

2. Xiao, Goodenough, et al, Chem. Mater. 2015, 27, 3763−3768.

3. Song, et al, Phys. Chem. Chem. Phys., 2014, 16, 17681-17687.

4. Song, Banks, et al, Phys. Chem. Chem. Phys., 2014,16, 3055-3061.

Figure 1: SEM micrograph of

hollow microspheres of Y2O3:Eu

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P48

3d Graphene Based Materials for Engrgy Conversion and Storage Applications

S. Maheswari, S.Ramaprabhu

Alternative Energy Nanotechnology Laboratory, Department of Physics, Indian Institute of Technology-Madras,

Chennai, Tamil Nadu.600036., E-mail:[email protected]

Carbon materials such as graphene and carbon nanotubes have good electrical conductivity, but have fairly

limited specific surface area (SSA) in bulk states. This is contrary to the bulk amorphous sp2 carbon materials

such as activated carbon (AC), which have much lower conductivity but higher SSA. Carbon materials with

both high SSA and conductivity in the bulk state have advantages of improved performance of energy storage

and conversion applications [1]. To achieve the desired surface area and conductivity, two experimentalsteps

were followed. First step is, in-situ hydrothermal carbonization of the mixture of cheap biomass carbon

sources with graphene oxide and second one is a chemical activation step[2]. The prepared three-

dimensionalarchitectures of graphene based material shown in fig.1, which can use in energy storage and

conversion devices.

Fig.1. SEM image of 3D graphene based carbon material

References

[1] Simon P and Gogotsi Y;Acc. Chem. Res. 2013, 46 (5), 1094-1103.

[2] Long Z; Fan Z; Xi Y; Guankui L; Yingpeng W;Tengfei Z; Kai L; Yi H;Yanfeng M; Ao Y and Yongsheng C;

Scientific reports, 2013,3, 1408-1417.

P49

CuNi2S4–g-MoS2 composite based Screen-Printed Electrodes: An Advanced Catalyst for the

Hydrogen Evolution Reaction

Prashanth S. Adarakatti, 1†Mallappa Mahanthappa,2† Ashoka S3 and Craig E. Banks4*

1Solid State and Structural Chemistry Unit, Indian Institute of Science, Bengaluru – 560 012, 2Department of

Chemistry, Govt. Science College, Bengaluru – 560 001, 3School of Engineering, Dayananda Sagar University,

Bengaluru – 560 068, 4Faculty of Science and Engineering, Manchester Metropolitan University, UK

*E -mail: [email protected]

In recent years, an advanced material for the development of hydrogen evolution reaction (HER) using non-

noble-metal catalysts which is having both excellent activity and robust stability has gained much attention. In


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this direction, an efficient three-dimensional (3D) hybrid material of copper dinickeltetrasulfidegraphene

sheets supporting molybdenum disulfide (CuNi2S4–g-MoS2) nanoparticles with high-performance

electrocatalytic activity for hydrogen evolution reaction (HER) is fabricated by using a facile hydrothermal

route. The prepared materials characterization was recorded using microscopic and spectroscopic techniques

which confirms the resulting hybrid material possesses a 3D furrowed few-layered graphene network structure

decorated with MoS2 nanoparticles. Electrochemical characterization analysis reveals that the resulting hybrid

material exhibits efficient electrocatalytic activity toward HER under acidic conditions with a low onset

potential of 160 mV and a small Tafel slope of 43.41 mV per decade. These results reveal that the abundance

of exposed active sulfur edge sites in the MoS2 and graphene based CuNi2S4 synergistically responsible for the

catalytic activity, whilst the distinguished and coherent interface in MoS2-g-CuNi2S4 facilitates the electron

transfer during electrocatalysis.

P50

Green Synthesis of Graphitized-TiO2 Nanocomposite for enhanced Hydrogen production

under Solar Irradiation

G. Manoranjani a, N.Ramesh Reddy a, M.Mamatha Kumari a, G.Surendraa, K.K.Cheralathan b, M.V.Shankar a

a Nanocatalysis and Solar Fuels Research Lab, Department of Materials Science & Nanotechnology, Yogi Vemana

University, Kadapa – 516 003, Andhra Pradesh, INDIA

bMaterials Chemistry Division, School of Advances Sciences, VIT University, Vellore-632014, India


TiO2 nanoparticles have emerged as a promising heterogeneous photocatalyst material for hydrogen

production, due to chemical inertness, economically viable, long-term photo stability and strong oxidizing

power. In order to enhance the photocatalytic activity graphitized/TiO2 nanocomposites were synthesized using

hydrothermal method and are optimized for different calcinations temperatures between 4000C-5000C and

different calcination times 2h, 3h, and 4h by photocatalytic hydrogen solar irradiation. Graphitized/TiO2

nanocomposites calcined at 4500C for 3 h showed enhanced hydrogen production. At this optimized

conditions, different weight percentages of glucose (0.5-4 wt %) were used to synthesize graphitized/TiO2

nanocomposites, which further tested for photocatalytic activity for enhanced hydrogen production under solar

light irradiation. Prepared photocatalysts were characterized by XRD, UV-Vis DRS, Raman, BET and TEM

for structure, morphology and optical properties. Among all photocatalysts, 1 wt%-4500C-3h showed highest

hydrogen production of 27108 µ mol g-1 h-1 due to improved absorption of visible light in solar spectrum and

reduced rate of electron-hole recombination.


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P51

Synthesis of Polymer Wrapped Porous G-C3n4/Metal Oxide Composites for Enhanced Supercapacitive

Performance

Mamta, Rashmi Chandrabhan Shende, Ramaprabhu S*

Alternative Energy Nanotechnology Laboratory, Department of Physics, IIT Madras

E-mail: [email protected] [email protected]

Graphitic carbon nitride (g-C3N4), due to its captivating structural and chemical properties like highly porous

morphology as well as ample nitrogen content in it, draws a recent attention in energy conversion and storage

devices [1]. In order to increase the overall electrochemical performance of supercapacitors, the designed

electrode material should give high energy density value and long cycle stability and it has been demonstrated

that the electrode materials based on metal oxides are favourable to realize desired results [2]. Besides, it has

been reported that porous support nanostructures with metal oxides provides further enhancement of energy

density [3][4]. In the present work, porous g-C3N4/metal oxide coated with appropriate polymer

nanocomposites have been synthesized by a simple cost effective process and shown as promising electrode

materials for enhanced supercapacitor performance.

References

[1] Gong, Y.; Li, M.; Wang, Y. ChemSusChem 2015, 8, 931-946.

[2] Kou, T.; Yao, B.; Liu, T.; Li, Y. J. Mater. Chem. A. 2017, 5, 17151-17173.

[3] Guan C.; Liu, J.; Wang, Y.; Mao, L.; Fa, Z.; Shen, Z.; Zhang, H.; Wang, J. ACS Nano 2015, 9, 5198-5207.

[4] Yang, H.; Kannappan, S.; Pandian, A. S.; Jang, J.-H.; Lee, Y. S.; Lu, Wu. arxivPrepr.arXiv…, 2013.

P52

Role of Oxygen in MoS2/MoSe2 Oxidation

Manav Saxenaa*, Joyee Mitrab, Pramoda K. Nayakc

aCenter for Nano and Materials Science (CNMS), Jain University,Bengaluru-562112, India

bInorganic Materials and Catalysis Division (IMCD), CSIR-CSMCRI,Gujarat-364 002, India

cDepartment of Physics, Indian Institute of Technology Madras,Chennai-600036, India

E-mail: [email protected]; [email protected]

van der Waals heterostructures based on transition metal dichalcogenides (TMDs) are important, due to their

excellent electronic and opto-electronic properties[1] with potential applications. However, studies have

reported that TMDs can be easily degraded by oxygen [2-3], Photocatalytic [4] and under other ambient

conditions. Our findings for MoS2 and MoSe2, shows that among different possible oxygen species, O2- is main

active species to interact with MoS2 and MoSe2. Raman mapping confirms that the degradation starts from

edge to basal plane. The rate of reactivity of active oxygen species is different for MoS2 and MoSe2 which is

faster for the MoS2.



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References

[1] Novoselov, K.; Mishchenko A.; Carvalho A.; Neto, A. C. 2D materials and van der Waals heterostructures

Science 2016, 353, aac9439.

[2] Parzinger, E.; Miller, B.; Blaschke, B.; Garrido, J. A.; Ager, J. W.; Holleitner, A.; Wurstbauer, U. Photocatalytic

Stability of Single- and Few-Layer MoS2. ACS Nano 2015, 9, 11302.

[3] Gao J.; Li B.; Tan J.; Chow P.; Lu T.-M.; Koratkar N. Aging of Transition Metal Dichalcogenide Monolayers.

ACS Nano, 2016, 10, 2628.

[4] Parzinger E.; Miller B.; Blaschke B.; Garrido J. A.; Ager J. W.; Holleitner A.; Wurstbauer U. Photocatalytic

Stability of Single- and Few-Layer MoS2. ACS Nano 2015, 9, 11302.

P53

Electrochemical Sensing of Neurotransmitters using Hybrid Nanostructures

R.Manigandana, V. Narayananb and K. Muralidharana*

a School of Chemistry, University of Hyderabad, Gachibowli, 500 045

bDepartment of Inorganic Chemistry, University of Madras, Chennai


This paper presents the fabrication and electrochemical sensing ability of different semiconductor/polymer

hybrid nanostructure modified electrodes towards the neurotransmitters. Initially, we have synthesized acid

doped conducting polymers and then modified its physicochemical properties using various metal oxides to

improve the sensing ability by a facile reaction route. Our focus is on understanding how the specific nanosized

modifier influences the potential electrocatalytic performance and in the electron transfer event to achieve the

higher sensitivity of the detection system. Various techniques were used to characterize the synthesized core-

shell like hybrid nanostructures. Variation in the optical property such as the shift in the absorbance and band

gap in the semiconductor/polymer hybrid nanostructures was determined by DRS UV-Visible spectroscopy.

The conductivity of the synthesized nanoparticles was evaluated by impedance measurements. The results

suggest that the acid doping and metal oxide incorporation alter the physicochemical properties of polymers.

Further, the property tuned polymers were utilized to modify the glassy carbon electrode (GCE), and the

modified electrode was found to exhibit better electrochemical sensing behavior towards neurotransmitters.

The high sensitivity of this sensing approach is a significant step forward toward the molecular diagnosis of

disease.

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P54

Electrocatalytic HER Activity Comparable to Platinum exhibited by the Ni/Ni(OH)2/graphite

Electrode

Manjeet Chhetri, Salman Sultan, C. N. R. Rao*

New Chemistry Unit, International Centre for Materials Science and Sheikh Saqr Laboratory, Jawaharlal Nehru Centre

for Advanced Scientific Research, Jakkur P.O, Bangalore 560064, India

All round development has been fuelled by Fossil fuel reserves till present times but sustainable world

economical growth has put unforeseen burden on drilling operation of Fossil fuel reserve. Not only depletion

of Fossil fuel but accompanied environmental problems have compelled humanity, albeit belatedly, to think

of alternate energy sources. The successful utilization of solar energy to economically produce green fuel

should involve facile and inexpensive means for electrolysis of water. In order to do so effectively and

economically, it is necessary to replace the platinum catalyst with an in-situ electrode fabrication process

involving active catalyst with readily available material. We have been successful in synthesizing an

inexpensive Ni/Ni(OH)2/graphite electrode whose performance is as good as Pt. Electrochemical dual pulse

plating (PP) with sequential galvanostatic and potentiostatic pulses has been used to fabricate an

electrocatlytically active Ni/Ni(OH)2/graphite electrode. This electrode design strategy to generate the

Ni/Ni(OH)2 interface on graphite from Ni deposits is promising for electrochemical applications and has been

used by us for hydrogen generation. By a suitable choice of the relative proportion of Ni and Ni(OH)2, we

obtain high current density at low overpotentials. The galvanostatic and potentiostatic pulses provide means

to control the morphology and composition and attain improved electrochemical performance. The synergetic

effect of nickel, colloidal nickel hydroxide islands and the enhanced surface area of the graphite substrate

facilitating HO-H cleavage followed by H(ad) recombination, results in the high current density (200 mA/cm2

at an overpotential of 0.3 V comparable to platinum (0.44 V). The easy method of fabrication of the electrode

which is also inexpensive prompts us to explore its use in fabrication of solar driven electrolysis. It must be

noted that PP is not only reproducible, inexpensive and easy method, but also avoids pitfalls of dropcasting

method of electrode fabrication technique.

Reference-

Manjeet Chhetri, Salman Sultan, C. N. R. Rao, Electrocatalytic HER Activity Comparable to Platinum exhibited by

the Ni/Ni(OH)2/graphite Electrode. Proc. Natl. Acad. Sci. U.S.A. (2017), 114, 34, 8986-8990

P55

Photo-Induced Charge Transfer Mechanism in CdIn2S4/g-C3N4 Composites for Solar

Hydrogen Production.

Manjiri A. Mahadadalkar, Bharat B. Kale*

Nano-composite Group, Centre for materials for Electronics Technology (C-MET), Ministry of Electronics and

Information Technology (MeitY), Govt. of India,Panchawati, Off Pashan Road, Pune 411008, India

Email: [email protected], *[email protected]



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‘Hydrogen’ is the key word for clean and renewable fuel in this era of depleting fossil fuels and sustainable

environment maintenance. Remarkable progress has been made since the pioneering work by Fujishima and

Honda in 1969, but the development of photo catalysts with high competence for hydrogen generation by water

splitting utilize solar energy is still an unanswered riddle [1].

CdIn2S4 has the potential to generate hydrogen from water due to its appropriate band structure i.e. both the

oxidation and reduction potential of water lies within its band gap [2]. To address the crucial issue of enhancing

its photocatalytic activity for solar hydrogen production we have prepared its composites with graphitic carbon

nitride (CdIn2S4/g-C3N4). The morphological study reveals decoration of CdIn2S4 marigold flowers wrapped

in thin sheets of g-C3N4. The suppression in rate of re-combination of photo-induced charge carriers can be

clearly observed in photoluminescence studies. This results in improved photocatalytic activity for the

hydrogen production by water splitting over pristine CdIn2S4. The reusability and stability study of the

photocatalyst proves CdIn2S4/g-C3N4 composites as excellent candidate for solar hydrogen production.

References

1. Fujishima, A. and Honda, K. Electrochemical photolysis of water at a semiconductor electrode. Nature, 1972, 238, 37-

38.

2. Kale, B. B.; Baeg, J. O.; Lee, S. M.; Chang, H.; Moon, S. J.; Lee, C. W. CdIn2S4 nanotubes and “Marigold”

nanostructures: a visible‐light photocatalyst. Adv. Funct. Mater. 2006, 16, 1349-1354

P56

An Electrochemical NitrogenIncorporated Carbon Surface:A Metal-free Electrocatalysts For

Oxygen Reduction Reaction in a Wide pH Range

Manju Venkatesan #, Chiranjeevi Srinivasa Rao Vusa#, Palaniappan Arumugam* and Sheela Berchmans*

CSIR-CECRI, Karaikudi-630003.

Academy of scientific and innovative research.

E-mail- [email protected]

The need for the development of metal free electrocatalysts for oxygen reduction reaction (ORR) has become

a necessity to circumvent the prohibitive cost of Pt and the shortcomings of Pt based catalysts. Heteroatoms

doped carbon materials are proven to be a better choice for the ORR as a metal-free electrocatalyst. Usually

chemical and thermal methods were adopted to prepare heteroatoms doped carbon materials. Herein, for the

first time the incorporation of nitrogen on graphene by the electrolysis of an aqueous solution of carbamate at

+0.960 V vs NCE is reported. The resulting nitrogen incorporated graphene was characterized using FE-SEM,

XPS, CV, EIS. A higher content of nitrogen, 22.48% realized in it is a desirable factor to attain higher ORR

activity. This material shows an enhanced electrocatalytic ORRactivity in acidic, alkali and neutral solutions

as comprehended from the rotating disc electrode (RDE) and rotating ring disc electrode (RRDE)

measurements. Also, the nitrogen incorporated surface shows good tolerant to fuel cross-over and stable for a

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longer period. Hence, the protocol reported herein opens a new path for the preparation of variety of metal-

free electrocatalyst using other carbon materials and their hybrids.

P57

rGO Incorporated 3D/1D TiO2 Hierarchical Hybrid Microarchitectures Employed Over Seeded Fto

Substrates

Maria Angelin Sinthiya M, Ramamurthi*

Crystal Growth and Thin Film Laboratory, Department of Physics and Nanotechnology, SRMUniversity,

Kattankulathur-603203, Tamilnadu, INDIA. E-mail: [email protected]

Two dimensional nanosheet reduced graphene oxide (rGO) is attracting attention because of its excellent

properties [1]. Therefore incorporation of rGO into metal oxides and polymer has resulted in the unique

functionalities, especially in photochemical applications [2]. Among various rGO-based composites, rGO -

TiO2 composites have been widely studied for various applications, such as solar cells, photocatalysts,

hydrogen production, Li-ion batteries and water purification [2-4]. In the present study we have rGO

incorporated thinfilms of 3D microstructures over 1D microrod arrays on TiO2 seeded FTO substrates were

grown using one-step surfactant free hydrothermal method with different growth temperatures. And we have

studied the structural, morphological, optical,electrical and photochemical properties of rGO incorporated

3D/1D TiO2 hierarchical hybrid microarchitectures (HHMs).

References

[1] K.I. Bolotin, K.J. Sikes, Z. Jiang, M. Klima, G. Fudenberg, J. Hone, P. Kim and H.L. Stormer (2008) Ultrahigh

electron mobility in suspended graphene, Solid State Commun, 146, 351-355.

[2] .A.Z. Peining, S.Nair, P.Shengjie, Y.Shengyuan and S.Ramakrishna (2012) Facile Fabrication of TiO2–Graphene

Composite with Enhanced Photovoltaic and Photocatalytic Properties by Electrospinning, ACS Appl. Mater.

Interfaces,4, 581−585.

[3] W.Fan, Q.Lai, Q.Zhang and Y.Wang (2011) Nanocomposites of TiO2 and Reduced Graphene Oxide as Efficient

Photocatalysts for Hydrogen Evolution, J. Phys. Chem. C, 115, 10694–10701.

[4] C.Xu, A.Cui, Y.Xu and X.Fu, (2013) Graphene oxide–TiO2 composite filtration membranes and their potential

application for water purification, CARBON, 62, 465 –471.


http://pubs.acs.org/doi/10.1021/jp2008804

http://pubs.acs.org/doi/10.1021/jp2008804

http://www.sciencedirect.com/science/article/pii/S0008622313005447

http://www.sciencedirect.com/science/article/pii/S0008622313005447

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P58

Facile Synthesis of a Binary Ag/g-C3N4 showing Enhanced Photocatalytic Activity

Mary Xavier Marilyn1, Rose George Merlin1, Nair Radhakrishnan P1, Mathew Suresh1,2 *

1. Advanced Molecular Materials Research Centre, Mahatma Gandhi University, Kottayam

2. School of Chemical Sciences, Mahatma Gandhi University, Kottayam

Graphitic carbon nitride, polymeric semiconductor with a considerable band gap (2.7eV), has become a widely

studied metal free hetero catalyst for assisting light driven processes. It is widely known for its H2 production,1

photolytic splitting of water,2 CO2 conversion,3 pollutant degradation,4 catalyzing organic selective synthesis5

and so forth. Even though bulk C3N4 is visible light active, its photocatalytic activity is fairly low due to fast

recombination of charge carriers. In order to overcome this drawback, here we have synthesized g-C3N4 sheets

evenly decorated with silver nanoparticles via a greener and fast microwave assisted synthesis route. The

synthesized Ag/g-C3N4 composites were comprehensively characterized by IR, UV-vis, XRD, PL, TEM, EIS,

TG techniques. The SPR effect and delayed recombination of charge carriers enhances the photoresponse of

the composite. Owing to the above mentioned advantages the Ag loaded g-C3N4 displays superior visible light

photocatalytic organic pollutant degradation.

REFERENCES

1.Wang, X.; Maeda, K.; Thomas, A.; Takanabe, K.; Xin, G.; Carlsson, J. M.; Domen, K.; Antonietti, M., A metal-free

polymeric photocatalyst for hydrogen production from water under visible light. Nature materials 2009, 8 (1), 76-80.

2. Maeda, K.; Wang, X.; Nishihara, Y.; Lu, D.; Antonietti, M.; Domen, K., Photocatalytic activities of graphitic carbon

nitride powder for water reduction and oxidation under visible light. The Journal of Physical Chemistry C 2009,113

(12), 4940-4947.

3. Lin, J.; Pan, Z.; Wang, X., Photochemical reduction of CO2 by graphitic carbon nitride polymers. ACS Sustainable

Chemistry & Engineering 2013,2 (3), 353-358.

4. Lam, S.-M.; Sin, J.-C.; Mohamed, A. R., A review on photocatalytic application of gC 3 N 4/semiconductor (CNS)

nanocomposites towards the erasure of dyeing wastewater. Materials Science in Semiconductor Processing 2016,47,

62-84.

5. Ding, Z.; Chen, X.; Antonietti, M.; Wang, X., Synthesis of Transition Metal‐Modified Carbon Nitride Polymers for

Selective Hydrocarbon Oxidation. ChemSusChem 2011,4 (2), 274-281.

P59

Electrochemical Study of Graphene-NiCo2O4 Nanocomposites for High Performance

Supercapacitor Applications

Meenaketan Sethi, D. Krishna Bhat*

Department of Chemistry, National Institute of Technology Karnataka, Surathkal Mangalore- 575025, India.

*E-mail:[email protected], [email protected]

The growing needs of energy for country’s economy have caused the growth and demand for the search of an

alternative energy storage material which will be economic, safe, portable and environmental friendly. In this


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context, electrochemical energy storage devices are of utmost significance in the recent times [1]. A

Supercapacitoris an ideal electrochemical energy storage device which possesses the characteristics of fast

charge-discharge, high power, and energy density, long cycle life and fills the gap between conventional

capacitors and the batteries [1-3]. Here, in this work we have studied the electrochemical performance of

Graphene-NiCo2O4 (GNC) composites prepared through a solvothermal method. A series of GNC composites

were prepared by varying the percentage composition of graphene. The prepared material was thoroughly

analysed by XRD, FESEM and EDAX analysis in order to know the crystal structure, morphology and

elemental composition in the composite. The XRD patterns reveal the formation of NiCo2O4 cubic phase, and

the FESEM study clearly indicated the formation of rod-like morphology on the graphene sheets ensuring the

formation of hybrid composite. EDAX analysis revealed that no other elements are present except Nickel,

Cobalt, Carbon, and Oxygen suggesting the high purity of the product. The prepared materials were studied as

an electrode material for supercapacitor application employing a 3 electrode method with 2 M KOH as

electrolyte. Electrochemical parameters like cyclic voltammetry, Galvanostatic charge- discharge, and

Impedance spectra were studied in order to understand the electrochemical behaviour. Among the composites

the 5% GNC composite depicted a high capacitance value 735 Fg-1 with good rate capability. Hence, the

prepared material can be a potential candidate for high performance supercapacitor applications.

References

[1] Winter, M.; Brodd, R.J. What are batteries, fuel cells, and supercapacitors? Chem. Rev.,2004, 104, 4245-4270.

[2] Conway, B.E. Electrochemical Supercapacitors: Scientific Fundamentals and Technological Applications. Kluwer

Academic Publishers, Plenum Press: New York, 1999.

[3] Burke,A. Ultracapacitors: why, how, and where is the technology. J. Power Sources 2000. 91(1), 37-50.

P60

Stitching Carbon Nanotubes for High-Performance Wearable Supercapacitor

Mihir Kumar Jha, Deep Banerjee, Chandramouli Subramaniam*

Department of Chemistry, Indian Institute of Technology Bombay, Mumbai, India

*E-mail: [email protected]

Wearable technology comprises electronic devices integrated onto clothing that mainly find applications in

medical diagnosis, fitness and defense [1]. Wearables demand mechanical robustness, operational portability

and functional flexibility. Addressing this demand, our current efforts focus towards developing a high-

performing energy storage unit that allows seamless integration onto clothing.

Here, we report the fabrication of an electrochemical double-layer based supercapacitors employing single

walled carbon nanotubes (CNTs) and ion-gel based polymers. Uniformly immobilized CNTs on cellulose

yarns (CNT-thread), forms an interpenetrating conductive network with high specific surface area (~950 m2/g)

and forms the electrodes. Free-standing ion-gel polymer sheet (1-ethyl-3-methylimidazolium chloride-methyl

cellulose) as the electrolyte provides a wide electrochemical potential window (~ 2 V) along with chemical

stability and low iRdrop (~0.046 V). Interweaving of the CNT-thread across the electrolyte resulting in

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formation of orthogonal junctions composed of the electrolyte held between two CNT-threads. Each junction

behaves as an electrochemical supercapacitor and exhibits 429.8 F/g (max. specific capacitance), 50.3 Wh/kg

(energy density) and 3695 W/kg (power density).

Such stitching-based device fabrication realizes pixelation of energy storage devices, where the failure of one

pixel does not adversely affect the functioning of other pixels. Tunable capacitance through (a) facile

reconfiguration of the interweaving pattern and (b) modulation of chemical composition of ion-gel electrolyte

is also realized. Mechanical ruggedness along with high performance (complete capacitance retention after

1600 cycles, low relaxation time constant) indicates a disruptive scientific and technological advancement for

application targeting medical thernaustics, military and defense.

References:

[1] ITRS International Technology Working Groups. International Technology Roadmap for

Semiconductors (http://www.itrs.net ) (2013).

[2] Subramaniam, C. et al. One hundred fold increase in current carrying capacity in carbon nanotube-copper composite.

Nat. Commun. 2013, 4, 2202.

P61

Garnet Structured Solid Electrolytes for Hybrid Lithium-Sulfur Batteries

Mir Mehraj Ud Din and Ramaswamy Murugan*

High Energy Density Batteries Laboratory, Department of Physics, Pondicherry University, Puducherry-605014, India


To overcome the challenges facing in developing Li-S batteries with higher power output, solid-state

electrolytes with high Li+ conductivity and higher chemical stability against lithium polysulfide are much

required. Lithium based garnet oxide electrolyte with nominal composition Li7La3Zr2O12 first reported by

Murugan et al., [1] has been extensively investigated in recent times due to its intriguing properties which

include its exceptionally larger electrochemical window, higher electrochemical stability against high capacity

lithium metal anode [2] and enhanced Li+ conductivity and stability in polysulfide environment [3]. Herein an

attempt was made to integrate the garnet electrolyte with sulfur cathode. We synthesized the Ta doped LLZO

garnet electrolyte via solid state reaction route. The required cubic phase garnet with space group of Ia3d was

confirmed by powder X-ray. The total ionic conductivity of garnet electrolyte was estimated to be of the order

of magnitude 10-4 Scm-1 at room temperature. Composite sulfur cathode was prepared by simple melt diffusion

technique. The sulfur mass loading in the cathode was about 3.25 mg cm-2. To evaluate the electrochemical

parameters, coin cell CR2032 was assembled under controlled atmosphere, containing thin walled lithium

garnet disc membrane (< 400 micron) as electrolyte and composite sulfur as cathode and 0.75mm thick disc

of metallic lithium as anode. Coin cell battery delivered the initial capacity of 1353 mAhg-1 at a current density

0.04 mAcm-2 i.e., around 80.5% of theoretical capacity (1675 mAhg-1) of an ideal Li-S battery.

References:

[1] Murugan, R., Thangadurai, V., Weppner, W. Angew Chem 2007; 46: 7778.

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[2] Tao X, Liu Y, Liu W, Zhou G, Zhao J, et al. Nano Lett 2017; 17: 2967.

[3] Fu, K., Gong, Y., Xu, S., Zhu, Y., Li, et al. Chem Mater 2017.

P62

Hydrogenation of Levulinic Acid with and without External Hydrogen over Ni/Sba-15 Catalyst

Mohan Varkolu, a, b* David Raju Burri, b Seetha Rama Rao Kamaraju b *

a Department of Chemical Engineering, IIT Hyerabad, Kandi, Sangareddy, Telangana, India. b Inorganic and Physical

Chemistry Division, CSIR-Indian Institute of Chemical Technology, Hyderabad, India-5000071


Due to rapid consumption of limited source of fossil fuels, a great attention has been paid towards the synthesis

of biomass-derived fuels, fuel additives, and chemical intermediates in recent years. In fact, biomass resources

are abundant and inexpensive, which is accessible through the agriculture and forestation. Amongst the

biomass-derived platform molecules, levulinic acid(LA) is a potential candidate for the production of fuels

and fuel additives owing to its highly reactive bifunctional groups such as keto and acid group. The catalytic

hydrogenation of LA to gamma-valerolactone (GVL) has been given importance due to its several industrial

applications. In general, GVL has been produced through hydrogenation of LA in both liquid phase and

continuous process. Our previous works, continuous process for the production of GVL has been performed

and noticed that the impurities like water and formic acid could be achieved good conversions[1][2][3].

Aiming at hydrogenating LA (with and without external hydrogen) into GVL under environmentally preferred

vapour phase at atmospheric pressure, a series of Ni/SBA-15 catalysts with Ni loading of 5, 10, 20, 30, and

40% has been prepared by a facile impregnation method. Ni/SBA-15 catalysts are predominant in Ni (111)

crystalline phase which is essential for the hydrogenation of LA to GVL. Structural and textural integrity and

uniform dispersion of Ni NPs on the surface of SBA-15 may be responsible factors for the high activity of

Ni/SBA-15 catalysts towards the hydrogenation of LA to GVL under green conditions. Among the Ni/SBA-

15 catalyst series, 30%Ni/SBA-15 exhibited superior activity with nearly 100% conversion of LA and 97%

selectivity of GVL with external hydrogen source at an optimized reaction conditions whereas almost complete

conversion of LA and about 83% of GVL without external hydrogen source (1:5 mole ratio of LA: Formic

acid).In summary, Ni/SBA15 is a selective and eco-friendly catalyst for the above green process. Furthermore,

it has a wider scope for further development.

References

[1] V. Mohan, C. Raghavendra, C.V. Pramod, B.D. Raju, K.S. Rama Rao, RSC Adv. 4 (2014) 9660–9668.

[2] V. Mohan, V. Venkateshwarlu, C.V. Pramod, B.D. Raju, K.S.R. Rao, Catal. Sci. Technol. 4 (2014) 1253–1259.

[3] M. Varkolu, V. Velpula, S. Ganji, D.R. Burri, S.R. Rao Kamaraju, RSC Adv. 5 (2015) 57201–57210.


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P63

Photocatalytic reduction of CO2 by employing ZnO/Ag1-xCux/CdS and related

Heterostructures

Mohd. Monis Ayub and C. N. R. Rao

JNCASR, Bangalore

In view of the great importance of finding ways to reduce CO2 by using solar energy, we have examined the

advantage of employing heterostructures containing bimetallic alloys for the purpose. This choice is based on

the knowledge that metals such as Pt reduce CO2, although the activity may not be considerable. Our studies

with reduction of CO2 by ZnO/M/CdS (M = Ag, Au, Ag1-xAux, Ag1-xCux) type heterostructures in liquid phase

have shown good results specially in the case of ZnO/Ag1-xCux/CdS reaching a CO production activity

of 327.4 µmol h-1g-1. The heterostructures also reduce CO2 in the gas-phase although the production activity

is not high. Some of the heterostructures exhibit reduction of CO2 even in the absence of sacrificial reagents.

P64

Design and Construction of Metal Oxides, Metal Organic Frameworks and Composites with

Reduced Graphene Oxide for Supercapacitors

Mohit Sarafa, Richa Rajakb, Shaikh M. Mobina,b,c*

aDiscipline of Metallurgy Engineering and Materials Science, bDiscipline of Chemistry, cCentre of Biosciences and

Biomedical Engineering, Indian Institute of Technology Indore, Simrol, Khandwa Road, Indore 453552, India


We have synthesized different metal oxides (CuO, NiCo2O4 and Fe2O3), metal organic frameworks (Cu-MOFs,

Co-MOFs) and their composites with reduced graphene oxide (CuO-rGO, Cu-MOF/rGO and rGO-Fe2O3), and

used them for supercapacitors (Chart 1).

Chart 1.Recently designed supercapacitors based on different materials.

References

[1] Saraf, M.; Dar, R. A.; Natarajan, K.; Srivastava, A. K.; Mobin, S. M.A Binder-Free Hybrid of CuO-Microspheres and

rGO Nanosheets as an Alternative Material for Next Generation Energy Storage Application. ChemistrySelect2016, 1,

2826-283.

[2] Saraf, M.; Rajak, R.; Mobin, S. M. A Fascinating Multitasking Cu-MOF/rGO Hybrid for High Performance

Supercapacitors and Highly Sensitive and Selective Electrochemical Nitrite Sensors. J. Mater. Chem. A2016, 4, 16432.

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[3] Saraf, M.; Natarajan, K.; Mobin, S. M.Microwave Assisted Fabrication of Nanostructured Reduced Graphene Oxide

(rGO)/Fe2O3 Composite as a Promising Next Generation Energy Storage Material.RSC Adv. 2017, 7, 309-317.

[4] Rajak, R.; Saraf, M.; Mobin, S. M. Design and Construction of a Ferrocene based Inclined Polycatenated Co-MOF

for Supercapacitor and Dye Adsorption Applications. J. Mater. Chem. A2017,5, 17998-18011.

[5] Saraf, M.; Natarajan K.; Mobin, S. M. Multifunctional Porous NiCo2O4 Nanorods: Sensitive Enzymeless Glucose

Detection and Supercapacitor Properties with Impedance Spectroscopic Investigations.New J. Chem. 2017, 41, 9299-

9313.

P65

Graphene oxide-TiO2-Hemin ternary hybrid composite material as an efficient heterogeneous

catalyst for degradation of organic contaminants

C. Munikrishnappa*and N. Munichandraiah

Department of Inorganic and Physical Chemistry, Indian Institute of Science – 560012, India.


Graphene Oxide-TiO2-Hemin (GO/TiO2/Hemin) ternary composite hybrid material was prepared by sol-gel

method and used as a heterogeneous catalyst for photocatayltic degradation of organic contaminants. Fourier

transform infrared spectroscopy confirmed that the Hemin was present in the deprotonated carboxylate form

when anchored to the TiO2/GO surface. Catalytic activity of the GO-TiO2-Hemin was evaluated by the

degradation of Rhodamine B (RhB) under UV-visible light irradiation (>550 nm) and in the presence of

hydrogen peroxide. Ternary composite (TiO2/GO/Hemin) shows an excellent activity over a wide pH range

from 3 to 11 and also a stable catalytic activity after seven recycles. The increase in the efficiency of GO-TiO2-

Hemin-UV processes is attributed to the Fe2+ ions produced from the cleavage of stable iron complexes, which

participate in continuous cyclic process for generation of hydroxyl radicals produced by heterogeneous

photocatalytic reactions and adsorption power of GO. The efficiency of various processes for the degradation

of RhB dye is of the following order: GO < TiO2<Hemin<TiO2/GO<TiO2/Hemin<TiO2/GO/Hemin. TiO2-

Hemin decorated graphene oxide was efficient heterogeneous catalyst for degradation of organic contaminants.

Degradation mechanism of Rhodamine B was proposed based on intermediates.

References

[1] Bae E and Choi W (2003) Highly Enhanced Photoreductive Degradation of Perchlorinated compounds on Dye-

Sensitized Metal/TiO2 under Visible Light. Environ. Sci. Technol 37: 147-152

[2] Castro C E and Wade R S (1973) Oxidation of Iron (II) porphyrins by alky halides. J, Am. Chem. Soc 95: 226–234

[3] Castro C E, Wade R S and Belser N O (1985) Belser. biodehalogenation: Reactions of cytochome P-450 with

polyhalomethanes. Biochemistry 24:204–210

[4] Chen C, Ma W and Zhao J (2010) Photoelectrochemical Properties of Graphene and Its Derivaties. Chem. Soc. Rev

39: 4206-4219



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P66

Electrical properties of PVA-PVP based Polymer blend Electrolytes

M. Muthuvinayagam*, K. Sundaramahalingam, M. Vahini

Department of Physics/Multi-functional Materials Research Laboratory

Kalasalingam University-626 126.


Solid polymer electrolytes (SPEs) have been extensively studied because of their applications in

many technological areas, such as solid state batteries, electro-chemical sensors and electro chromic

devices [1- 3]. For solid state battery applications, a polymer electrolyte must have high ionic

conductivity at ambient temperature, good mechanical strength, appreciable transference number,

good thermal and electro chemical stabilities and better compatibility with electrodes. In my study,

Lithium ion conducting solid polymer blend electrolytes have been prepared by using Poly vinyl

alcohol (PVA) /poly (vinyl pyrrolidone) (PVP) with Lithium Acetate by solution cast technique. The

prepared films are characterized by various methods like XRD, SEM and AC impedance studies..

The complexation and amorphous nature of polymer electrolytes are confirmed by XRD. The

relative intensity of the broad peaks decreases with increase of Lithium Acetate salt concentration.

This indicates that the amorphous nature of the host polymer increases with increase in Lithium

Acetate concentration. The Scanning Electron Microscopy gives the surface morphology of the

polymer electrolytes. The smooth surface indicates the uniform distribution and complete

dissociation of salt in the blend polymer matrix. The Frequency and temperature dependent of

electrical conductivities of the films are studied using impedance analyzer in the frequency range of

42Hz to 1MHz. The higher electrical conductivity of 50PVA:50PVP:25 wt% Lithium Acetate

concentration has been found to be 5.39 x10-5Scm−1 at room temperature.

The cole-cole plot of PVA-PVP(50:50) polymer blend with different concentrations of Lithium

acetate at room temperature

References

[1] J. Qiao, J. Fu, R. Lin, J. Ma, and J. Liu. Polymer 51, 4850–4859 (2010).

[2] M. Hema, S. Selvasekerapandian, G. Hirankumar, A. Sakunthala, D. Arunkumar, and H. Nithya , Journal

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of Physics and Chemistry of Solids.70 ,7 1098–1103 (2009).

[3] C V Subba Rao, M Ravi, V Raja, P B Bhargav, A K Sharma, V V R N Rao ,Iranian Polymer J. 21, 531

(2012)

P67

Investigation on Properties of Novel Mixed Metal Oxide Catalysts for Chemical Fixation of CO2 by

Converting into Cyclic Carbonates

Nagendra Kulal and Ganapati V. Shanbhag*

Materials Science Division, Poornaprajna Institute of Scientific Research (PPISR), Bidalur Post, Devanahalli,

Bengaluru-562164, Karnataka State, India, email: [email protected]


Over the years, the concentration of CO2 in the atmosphere has significantly increased due to various human

activities leading to disastrous environmental change. CO2 being non-toxic and abundantly available can be

utilized to produce cyclic carbonates and polycarbonates which shows promising industrial applications such

as precursor for polycarbonates, electrolyte in lithium ion batteries, aprotic polar solvent, and intermediates in

organic synthesis. [1]. Binary or mixed metal oxides are one of the popular heterogeneous catalysts used in

industry/academia for the selective organic transformations [2].In this study, several mixed metal oxides were

prepared by co-precipitation method and used for cycloaddition of CO2 to epoxides. Owing to the presence of

Mn+Om- ion pairs in metal oxide, it is found to exhibit acid–base and redox properties.

In this work, different mixed metal oxides were prepared by co-precipitation of two metal salts, and subsequent

drying and calcination. These are a combination of oxides of two metals in the list; Mg, Ca, Ba, Mn, Ni, Zn

and Sn. The catalysts were characterized by XRD, BET, TPD, SEM and TEM techniques and tested for the

synthesis of different cyclic carbonates. The number of active sites can be tuned upon varying calcination

temperature and composition of oxides. The surface properties of these catalysts depend on the nature of

individual and mixed metal oxide phases. The reaction was carried out in a high pressure stirred autoclave with

a specific CO2: epoxide mole ratio and solvent DMF. The conversions exhibited by the mixed metal oxides

were in the range of 40 to 98% with selectivity for propylene carbonate ranging 56-94%. These catalysts

showed better activity than the corresponding individual oxides. The structure-activity correlation was

established. The catalyst was truly heterogeneous without leaching of active sites and showed good

recyclability.

Reference

1. Adeleye, A. I.; Patel, D.; Niyogi, D.; Saha, B. Ind. Eng. Chem. Res. 2014, 53(49), 18647-18657.

2. Manjunathan, P.; Ravishankar, R.; Shanbhag, G. V. Chem. Cat. Chem. 2016, 8(3), 631-639.

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P68

Nano Structured Reduced Graphene Oxide (R-Go) Coated TiO2 As Negative Electrode

Additive For Advanced Lead-Acid Batteries.

Naresh Vangapally1, S. A. Gaffoor2, Surendra K Martha1,*

1Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi-Sangareddy, Telangana ,502285 (India).

2NED Energy Ltd, Medchal, Ranga Reddy, Telangana 502401(India).


Even though,Lead acid battery was invented 150 years ago and its designs have been optimized in the past in

several different ways, there are still certain challenges, facing lead-acid battery designers, such as grid

corrosion at the positive electrode, sulfation at both the electrodes, and poor charge acceptance of positive

electrode, larger curing time and more significantly low energy density because of high atomic weight of

lead [1]. So the current research efforts in lead-acid battery are directed towards achieving high energy

density with reduced cost and less weight and reduce sulfation [2-3].

To overcome the issues of sulfation of the electrodes, we propose here reduced graphene oxide (RGO) coated

TiO2 as a negative electrode additive for advanced Lead-Acid Batteries (LAB) .The presence of RGO coated

TiO2 Nano composite additives provides interfacial stability (improves the charge efficiency), slows down

hard sulfation, high active material utilization by occupying pores on the negative plate. Addition of 0.5 wt. %

of RGO coated TiO2 into the negative active mass reduces sulfation, consequently increases battery formation

efficiency from 3 cycle to 1 cycle, 20% increase in discharge capacity (at C/5, C/10 and lower) and > 40 %

improvement in capacity at 1C rate. The additive also increases the battery life under high rate discharge

conditions.

References:

1. G. Planté, C. R. Acad. Sci. Paris, 50 (1860) 640.

2. P.T. Moseley and D. A. J. Rand, J. Power Sources, 78 (2004) 2.

3. D. Pavlov, Lead-Acid Batteries: Science and Technology, Elsevier, 2011

P69

Nitrogen Doped 3D Graphene Supported NiFe Composite for Efficient Oxygen Evolution Reaction

Narugopal Manna,†,‡Sreekumar Kurungot†,‡*

†Physical and Materials Chemistry Division, National Chemical Laboratory (CSIR), Dr. Homi Bhabha Road, Pashan,

Pune 411 008, India

‡Academy of Scientific and Innovative Research, Anusandhan Bhawan, 2 Rafi Marg, New Delhi 110 001, India


In recent years, because of depleting fossil fuels and environmental concerns, eco-friendly renewable energy

conversion technologies based on sustainable energy sources have attracted tremendous attention, such as

water splitting, CO2 conversion and fuel cells.Electrocatalytic water splitting process has been a widely




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considered candidate to solve energy and environmental problems due to its carbon neutral, abundant, and

sustainable energy sources.The anode reaction, namely the oxygen evolution reaction is one of the main steps

in electrochemical water splitting. However, the sluggish reaction kinetics of the OER limit the whole water

splitting reaction.1Until now, precious metal based oxide materials (RuO2 and IrO2) have been fused as the

most active catalysts, despite the high cost, poorstability, and scarcity of these metals.2Recently, extensive

research activities have focused on multi-composite transition metal (Ni, Fe, Mn, Co, etc.) oxides and

hydroxides, perovskites, and carbon-based materials (graphite, graphene, carbon nanotubes (CNTs), as a

Potential catalysts for water splitting.3For the Ni–Fe binary materials in the OER, electrochemical activities

such as proton-coupled electron transfer and diffusion of the reactants significantly depend on the real surface

area, chemical composition, and their electronic structures, due to the increase of redox reaction sites and

enhanced conductivity.4However, the aggregation of particles during the electrochemical redox process results

in drastically decreased active sites and structural stability. One of the issues to improve electrocatalytic

properties is thus control of the morphology and shape, withhigh surface area to volume ratios, high porosity,

surface permeability, and enhanced cycling performance.Herein, afacile and cost-effective strategy was

employed to prepared the NiFe Composite/three dimentional Nitrogen doped graphene(NiFe/3D-NGr) via an

one-pot solvothermal reaction by using GO. displayed the excellent OER activity and high durability in

alkaline medium.

P70

Cocatalyst free Z-schematic enhanced H2 evolution over LaVO4/BiVO4 composite photocatalyst using

Ag as an electron mediator

Naveen Kumar Veldurthia,1*, Neerugatti KrishnaRao Eswarb, Satyapaul A. Singha, Giridhar Madrasa

aDepartment of Chemical Engineering, Indian Institute of Science, Bangalore.

bCentre for Nanoscience and Engineering, Indian Institute of Science, Bangalore.

* E-mail: [email protected]

A novel cocatalyst free Z-schematic photocatalytic system of Ag/LaVO4/BiVO4 was successfully fabricated

for clean hydrogen fuel evolution inspired by the Z-scheme water splitting mimicking photosynthesis of green

plants. The spherical nanoparticles of LaVO4 were prepared in solution combustion method for the first time

using glycine as a fuel, BiVO4 was deposited onto LaVO4 through a deposition–precipitation method and Ag

was loaded on the surface of LaVO4/BiVO4 composite by photoreduction method. The composites were

characterized by XRD, UV-vis DRS, SEM, TEM, EDS and XPS to ensure the successful integration of Ag or

(and) BiVO4 with LaVO4. A series of photocatalytic H2 evolution experiments, employing Na2S and Na2SO3

as hole scavengers, showed that the Ag/LaVO4/BiVO4 composite exhibited a superior photocatalytic

performance compared to single LaVO4 or BiVO4. Although BiVO4 cannot be used for H2 evolution, it can

significantly enhance the H2 evolution performance of LaVO4 through a Z-scheme mechanism with Ag as an

1


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electron mediator. Moreover, investigations on photoluminescence and fluorescence lifetime measurements

demonstrated the greater separation efficacy of photoinduced excitons in the Z-scheme Ag/LaVO4/BiVO4

photocatalytic system. This newly constructed LaVO4 based Z-scheme system exhibits promising

photocatalytic H2 evolution activity with significant longevity and will be useful for potential applications in

energy driven technologies.

P71

Conversion of Methane to Methanol on Doped Graphene

Neha Bothra and S K Pati Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research

Bangalore 560064, India

Methane is a volatile inflammatory gas, obtained mostly in remote areas, left unused due to

transportation problems. Liquefaction of this stable gas is quite expensive. It would thus be a better

option if it can be converted into some useful substance, like methanol, as it is considered to be a

clean, green fuel. But methane is a highly inert gas and it is quite hard to activate it. Here, we aim

to find a cheap, effective and active catalyst, which would make this conversion to occur at the room

temperature. Currently, in chemical industry, methanol is produced from methane by steam

reformation process through two steps. In each of the steps, expensive catalysts and high

temperatures are used. In nature, methanotrophic bacteria performs this conversion at room

temperature using methane monooxygenase (MMO) enzyme. To mimic this enzyme structure,

metal organic framework (MOF) with Cu and Fe transition metal atoms (which are the active sites

of MMO) have been used.Recently, Impeng et al achieved this conversion theoretically in one step

by using iron (Fe) doped graphene as catalyst [1]. We have been trying to find the best metal-doped

(or non-metal- doped) graphene system by studying large number doped graphene systems, by

varying the metal/non-metal as, V, Mo, Mn, Ru, Rh, Ir, Ni, Pd, Pt, Cu, Ga and Sn for the conversion

of methane to methanol. We have studied this conversion by considering two pathways, single-step

and two-step pathways. We find that among all the dopants, Rh shows very good activity (activation

energy below 1 eV) in both pathways whereas Ga is kinetically active for sigle step pathway. The

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detail energy landscape in two pathways and the reasons for catalytically favorable processes will

be discussed in the presentation.

Reference

1. S. Impeng, P. Khongpracha, C. Warakulwit, B. Jansang, J. Sirijaraensre, M. Ehara,

J. Limtrakul, RSCAdv. ,2014, 4, 12572.

P72

Magnetic Co-Doped MoS2 Layers: Efficient Catalyst for Nitroarene Reduction

C. Nethravathi, Janak Prabhu, S. Lakshmipriya, Michael Rajamathi*

Materials Research Group, St. Joseph’s College, Lalbagh Road, Bangalore 560027


Efficient electron transfer catalysts are in demand for photocatalytic / electrocatalytic processes for renewable

energy and environmental amelioration. Two-dimensional (2D) MoS2 nanosheets [1] have garnered interest as

a potential noble-metal-free catalyst for the electrochemical generation of hydrogen from water [2] and

hydrodesulfurization of petroleum [3]. Introducing transition metal ions (Co, Ni, Fe) into the MoS2 matrix has

been the classic route to maximize the catalytic activity of MoS2, as the doped ions alter the electronic

properties at the coordinatively unsaturated catalytic S-edges [4].

Co-doped MoS2 nanosheets [5] synthesized through the hydrothermal reaction exhibit a dominant metallic 1T

phase with cobalt ion-activated defective basal planes and S-edges. In addition, the nanosheets are dispersible

in polar solvents such as water and methanol. With increased active sites, the nanosheets exhibit exceptional

catalytic activity in the reduction of nitroarenes with impressive turnover frequencies of 8.4, 3.2, and 20.2

min−1 for 4-nitrophenol, 4-nitroaniline, and nitrobenzene, respectively. The enhanced catalytic activity of the

Co-doped 1T MoS2 nanosheets in comparison to that of undoped 1T MoS2 nanosheets suggests that

incorporation of cobalt ions in the MoS2 lattice is the major reason for the efficiency of the catalyst. The dopant,

Co, plays a dual role. In addition to providing active sites where electron transfer is assisted through redox

cycling, it renders the nanosheets magnetic, enabling their easy removal from the reaction mixture, thus making

its recycling and reusability simple and efficient.

References

[1] Chhowalla, M.; Shin, H. S.; Eda, G.; Li, L.-J.; Loh, K. P.; Zhang, H. The Chemistry of Two-Dimensional Layered

Transition Metal Dichalcogenide Nanosheets. Nat. Chem. 2013, 5, 263–275.

[2] Hinnemann, B.; Moses, P. G.; Bonde, J.; Jørgensen, K. P.; Nielsen, J. H.; Horch, S.; Chorkendorff, I.; Nørskov, J.

K. Biomimetic Hydrogen Evolution: MoS2 Nanoparticles as Catalyst for Hydrogen Evolution. J. Am. Chem. Soc.

2005, 127, 5308–5309.

[3] Prins, R.; De Beer, V. H. J.; Somorjai, G. A. Structure and Function of the Catalyst and The Promoter In Co–Mo

Hydrodesulfurization Catalysts. Catal. Rev. 1989, 31, 1–41.

107 | P a g e

[4] Bonde, J.; Moses, P. G.; Jaramillo, T. F.; Norskov, J. K.; Chorkendorff, I. Hydrogen Evolution on Nano-Particulate

Transition Metal Sulfides. Farad. Discuss. 2012, 5, 219–231.

[5] Nethravathi, C.; Janak, P.; Lakshmipriya, S.; Rajamathi, M. Magnetic Co-Doped MoS2 Nanosheets for Efficient

Catalysis of Nitroarene Reduction. ACS Omega, 2017, 2, 5891–5897.

P73

Temperature Dependent Thermal Conductivity on Super-Hydrophilic Boron Nanosheets

Based Nanofluids

Nisha Ranjan, Rashmi Shende and Ramaprabhu S*

Department of Physics, Alternative Energy and Nanotechnology Laboratory (AENL), Nano-Functional Materials

Technology Centre (NFMTC), Indian Institute of Technology Madras, Chennai, Tamil Nadu 600036, India


Nanofluids, a term coined by Choi [1], is the stable suspension of nanoparticles in base fluids. Nanofluids find

potential application in various fields, including lubrication, medical, solar collectors and as heat transfer fluid.

Scientific research in the field of nanofluids is mainly concentrated on metal/metal oxide and carbon

nanocomposites based nanofluids. However, preparing a stable nanofluids using these nanomaterials require

additional surface modification [2]. Present work reveals a single step synthesis of super-hydrophilic boron

nanosheets (H-BN). Nanofluids were prepared by dispersing specific amount of H-BN nanoparticles in DI

water and EG. Stability of nanofluids was studied using Zeta potential measurements. The concentration of H-

BN nanoparticles was optimised to get excellent stability in base fluids. Temperature dependent thermal

conductivity measurements carried out using Hot Disk TPS 2500S for H-BN based nanofluids show significant

enhancement in thermal conductivity.

References

(1) Choi, S. U. S.; Zhang, Z. G.; Yu, W.; Lockwood, F. E.; Grulke, E. a. Appl. Phys. Lett. 2001, 79 (14), 2252.

(2) Baby, T. T.; Ramaprabhu, S. J. Appl. Phys. 2010, 108 (12), 124308.

P74

Quantum Dot Sensitized Solar Cell with Type-II Hetero-Structure Quantum Dots.

Padmashri Patil

Indian Institute of Technology Bombay, Mumabai.

[email protected]

For the synthesis of technologically important Quantum dots with quicker and simpler chemical fabrication

route is always desirable. We have reported simple aqueous method for synthesis of type-II hetero-structure

of CdTe/CdSe core/shell Quantum dots without purification of CdTe seed at a relatively lower temperature of

∼80 °C [1]. These core/shell Quantum dots show structural and optical properties comparable to the Quantum

dots synthesized using purified CdTe seed Quantum dots. Longer photoluminescence lifetime with thicker


108 | P a g e

shells are observed in such CdTe/CdSe core/shell hetero-structures grown by both procedures which indicates

more non-radiative decay channels are being added with increasing thickness of shell layer. Sensitized solar

cells are fabricated using these good quality unpurified core/shell Quantum dots. We found that efficiency of

solar cell is a strong function of shell thickness as the charge carrier separation is also function of shell

thickness in these type-II hetero-structure nanoparticles. The increment in short circuit current density in

Quantum dots having thickest shell is ∼300% compared to the core–shell Quantum dots having the thinnest

shell prepared by us. Calculated maximum efficiency of the solar cell fabricated using core/shell Quantum

dots with thickest CdSe shell is ∼2% with JSC = 8.9 mA/cm2 and VOC = 0.53 V. We also found that sintering

of photo-anode sensitized with these CdTe/CdSe Quantum dots is very important for achieving higher

efficiency[2]. Factors affecting efficiency of solar cell is further studied using Fluorescence Correlation

Spectroscopy [3].

References:

[1]. Padmashri Patil, C. Laltlanzuala, S. Datta, Journal of Alloys and Compounds, 607,230-237, 2014.

[2]. Padmashri Patil, Physics of Semiconductor Devices, 343-346, 2013.

[3]. A.V.R. Murthy, Padmashri Patil, S. Datta, S. Patil, Journal Of Physical Chemistry C 117, (25), 13268-13275.

P75

Poly(3,4-Ethylenedioxythiophene)/ CaCu3Ti4O12nano composites as electrode material for

supercapacitor application.

M.Padmini, P. Thomas

Dielectric Materials Division, Central Power Research Institute, Bangalore - 560 080, India

E-mail : [email protected]

The conducting polymer based electrode materials are being investigated and especially, conducting polymer

such as poly(3,4-Ethylenedioxythiophene) (PEDOT) has been widely studied as electrode material for the

supercapacitor applications. Particularly, conducting polymer / inorganic nanocrystal composites were

developed for various technological applications such as supercapacitor, capacitor, energy storage and charge

storage devices.Hence, to explore the possibility of obtaining new electrode materials with better stability,

series of composites with varying concentrations of CaCu3Ti4O12 (CCTO) by weight percent were synthesized

using a simple procedure involving in-situ polymerization of 3,4 Ethylenedioxythiophene using FeCl3 as

oxidant. The pure PEDOT and the composite were characterized using X-ray diffraction (XRD), Fourier

transform infrared spectroscopy (FT-IR), Differential Scanning Calorimetry (DSC), Thermogravimetric

analysis (TGA), and Scanning electron microscopy (SEM). The XRD revealed that the phase pure PEDOT

exhibiting semi-crystalline nature, while the nano crystal composites were completely crystalline.Thermal

analysis indicated that the composite has better stability than that of the pure PEDOT. The FTIR/ATR

confirmed the formation of characteristic peak of PEDOT. SEM exhibiting coral like structure morphology

and the corresponding energy density values obtained, and the cycle life estimated is discussed in this work.


109 | P a g e

References:

[1] B. E. Conway, Electrochemical Supercapacitors: Scientific Fundamentals and Technological

Applications, Kluwer Academic/Plenum Press, New York (1999).

[2] H. S. Kushwaha, P. Thomas, Rahul Vaish, Polyaniline/CaCu3Ti4O12 nanofiber composite with a synergistic effect

on visible light photocatalysis.

P76

Bimetallic Nanoparticles Dressed Photoanodes for Higher Performance Dye-Sensitized Solar Cells

Alagarsamy Pandikumar*

Functional Materials Division

CSIR-Central Electrochemical Research Institute, Karaikudi-630003, Tamil Nadu, India


In the present investigation, gold–silver@titania (Au–Ag@TiO2) plasmonic nanocomposite materials were

prepared and used as photoanodes in high-efficiency dye-sensitized solar cells. The Au–Ag incorporated

TiO2 photoanode demonstrated an enhanced solar-to-electrical energy conversion efficiency of 7.33%, which

is ∼230% higher than the unmodified TiO2 photoanode (2.22%) under full sunlight illumination (100 mW

cm−2, AM 1.5G). This superior solar energy conversion efficiency was mainly due to the synergistic effect

between the Au and Ag, and their surface plasmon resonance effect, which improved the optical absorption

and interfacial charge transfer by minimizing the charge recombination process. The significant boost in the

solar energy conversion efficiency with the Au–Ag@TiO2 plasmonic nanocomposite showed its potential as a

photoanode for high-efficiency dye-sensitized solar cells.

Figure: Schematics of DSSC assembly and charge transfer mechanism at Au–Ag@ TiO2 photoanode

modified DSSC.

References

[1] Kamat, P.V. J. Phys. Chem. B, 2002, 106, 7729–7744

110 | P a g e

[2] Pandikumar, A.; Lim, S.P.; Jayabal, S.; Huang, N.M.; Lim, H.N.; Ramaraj, R. Renew. Sustain. Energy

Rev. 2016, 60, 408–420.

P77

Self-Assembled Hierarchical Formation of Conjugated 3D Cobalt Oxide

Nanobead−CNT−Graphene Nanostructure Using Microwaves for High-Performance

Supercapacitor Electrode

Pawan Kumar Dubey1, Rajesh Kumar2, Prabhakar Singh1

1Department of Physics, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005, India

2Center for Semiconductor Components, State University of Campinas (UNICAMP), 13083-870 Campinas,Sao Paulo,

Brazil


In the Present work we report the electrochemical performance of a interesting three-dimensional (3D)

structures comprised of zerodimensional (0D) cobalt oxide nanobeads, one-dimensional (1D) carbon

nanotubes and two-dimensional (2D) graphene, stacked hierarchically. We have synthesized 3D self-

assembled hierarchical nanostructure comprised of cobalt oxide nanobeads (Co-nb), carbon nanotubes (CNTs),

and graphene nanosheets (GNSs) for highperformance supercapacitor electrode application. This 3D self-

assembled hierarchical nanostructure Co3O4 nanobeads−CNTs− GNSs (3D:Co-nb@CG) is grown at a large

scale (gram) through simple, facile, and ultrafast microwave irradiation (MWI). In 3D:Co-nb@CG

nanostructure, Co3O4 nanobeads are attached to the CNT surfaces grown on GNSs. Our ultrafast, one-step

approach not only renders simultaneous growth of cobalt oxide and CNTs on graphene nanosheets but also

institutes the intrinsic dispersion of carbon nanotubes and cobalt oxide within a highly conductive scaffold.

The 3D:Co-nb@CG electrode shows better electrochemical performance with a maximum specific capacitance

of 600 F/g at the charge/discharge current density of 0.7A/g in KOH electrolyte, which is 1.56 times higher

than that of Co3O4-decorated graphene (Co-np@G) nanostructure. This electrode also shows a long cyclic life,

excellent rate capability, and high specific capacitance. It also shows high stability after few cycles (550 cycles)

and exhibits high capacitance retention behaviour. It was observed that the supercapacitor retained 94.5% of

its initial capacitance even after 5000 cycles, indicating its excellent cyclic stability. The synergistic effect of

the 3D:Co-nb@CG appears to contribute to the enhanced electrochemical performances.

References

[1]. Yang, L.; Yu, X.; Hu, W.; Wu, X.; Zhao, Y.; Yang, D. An 8.68% Efficiency Chemically-Doped-Free

Graphene−Silicon Solar Cell Using Silver Nanowires Network Buried Contacts. ACS Appl. Mater. Interfaces

2015, 7, 4135−4141.

[2]. Datta, D.; Li, J.; Shenoy, V. B. Defective Graphene as a HighCapacity Anode Material for Na- and Ca-Ion

Batteries. ACS Appl. Mater. Interfaces 2014, 6, 1788−1795.

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[3]. Wang, L.; Liu, W.; Zhang, Y.; Zhang, Z.-H.; Tiam Tan, S.; Yi, X.; Wang, G.; Sun, X.; Zhu, H.; Volkan Demir, H.

Graphene-based Transparent Conductive Electrodes for GaN-based Light Emitting Diodes: Challenges and

Countermeasures. Nano Energy 2015, 12, 419−436.

P78

Enhanced Room Temperature Gas Sensing using Sacrificial Colloids Assisted

ZnONanostructuresby Light Trapping Mechanism

PoulomiChakrabarty,a,cMenekaBanik,cNarendarGogurla,bSumitaSantra,bSamit Kumar Ray*,a,b, and Rabibrata

Mukherjee* a,c

a School of Nanoscience and Technology, b Department of Physics, c Instabilityand Soft Patterning Laboratory,

Department of Chemical engineering

Indian Institute of Technology Kharagpur, West Bengal, India, 721302

E–mail: [email protected]; [email protected]

Recently, the detection of nitrogen oxide gases (NO and NO2) has become focus due to exposure of these toxic

gases to the environment from the automotive and power plants combustion. Among many sensors, one

dimensional (1D)ZnOnanostructure based sensors have received much attention due to their high sensitivity

andrapid response arises from the high surface to volume ratio.Widespread use of ZnO nanostructures for

nitrogen oxide sensing has limited due to their high-temperature operation. It is very important to design a

room temperature nitrogen oxide sensor using ZnO. Among many possible ways, light driven gas sensing is

most promising approach for room temperature sensing due to significant reduction in detection-induced

flammability, explosive hazards and long-term instability caused by diffusion and sintering effects.However,

the further enhancement in sensing response for light driven sensors can be achieved by light trapping

mechanism using patterned 1D structure.Here, we have fabricated patterned 1D ZnOnanostructures to enhance

gas sensing performance by using the mechanism of light trapping. Different polystyrene colloid templates

(300 and 600 nm) have been utilized to grow the patterned 1D ZnO nanostructures. The sensors using

ZnOnanorods grown on template of polystyrene colloids with diameter of 300 nm operated at room

temperature have shown improved gas sensing response in the presence of light than that on 600 nm colloidal

template and flat. The sensitivityof patterned sensorsis found to be enhanced 3 times at 10 ppm than the flat

ZnOnanorod sensor due to increased porosity and efficient light trapping with the structures.The patterned

sensors also exhibited highly selective towards NOx gas as compared to other gases (CO and volatile organic

compounds). This observation suggests that the light trapping mechanism can be effectively used to design the

sensors operated at room temperature with high sensing response.

References:

[1] Gogurla N, Sinha A K, Santra S, Manna S and Ray S K 2015 Multifunctional Au-ZnO Plasmonic Nanostructures

for Enhanced UV Photodetector and Room Temperature NO Sensing Devices Sci. Rep.4 6483



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P79

Materials for Solar Thermal Energy Storage

Pramod Kandoth Madathil*

Interdisciplinary Centre for Energy Research (ICER),

Indian Institute of Science (IISc), Bangalore-560012

E-mail ([email protected])

Inorganic molten salts exhibiting high thermal stability, low melting point, better thermal conductivity as well

as specific heat capacity have been prepared for concentrated solar power (CSP) applications. The formulated

molten salt compositions of readily available raw materials have been thoroughly characterized and

investigated their thermal stability, melting behavior, thermal conductivity, rheological properties, etc.[1]. The

developed nitrate based eutectic molten salts exhibited good thermo-physical properties and, thermal

conductivity as well as specific heat capacity have been improved by the incorporation of nanoparticles [2].

Thermally stable molten salt based materials have huge potential in the area of solar thermal energy storage

because of the increased system efficiency.

References

[1] Pramod, K. M.; Rao, P. V.; Choudary, N. V.; Ramesh, K., Novel methodology to prepare homogenous ternary

molten salts for concentrated solar power applications and their thermo-physical characterization. Applied Thermal

Engineering 2016,109, 906-910.

[2] Madathil, P. K.; Balagi, N.; Saha, P.; Bharali, J.; Rao, P. V. C; Choudary, N. V.; Ramesh, K., Preparation and

characterization of molten salt based nanothermic fluids with enhanced thermal properties for solar thermal applications.

Applied Thermal Engineering 2016,109, 901-905.

P80

Superior Electrochemical Performance Of 3d Structures Of Graphene Oxide And Graphene

Analogue MoS2 with Polypyrrole

T. Prasankumar and Sujin P. Jose*

School of Physics, Madurai Kamaraj University, Madurai, Tamil Nadu

* E-mail:[email protected]

During the last two decades, energy has become the primary focus of scientific community and there has been

great interest in developing and refining more efficient energy storage devices. Recently, transition metal

dichalcogenides (TMDs) like MoS2 are recognized as effective energy materials due to their 2D structure

analogues to graphene.Robust 3D architectures of PPy-rGO and PPy-MoS2were fabricated by facile, one pot

chronoamperometry method to achieve scalable, conductive additive free and binder free supercapacitor

electrodes. In PPy-rGO, the integration of graphene into PPy provides large surface area for the loading of PPy

whereas PPy prevents restacking of rGO sheets. In PPy-MoS2, the MoS2 enhances the structural integrity; PPy

acts as a conducting matrix for holding the MoS2flowers and prevents aggregation of MoS2 sheets. The

mailto:*[email protected]

113 | P a g e

electrodeposited PPy-rGO and PPy-MoS2 electrodes exhibit superior capacitance of 200 F g-1 and 111 F g-1 at

a current density of 1 A g-1 respectively. The introduction of rGO in PPy matrix offered high capacitance,

whereas introduction of graphene analogue MoS2 improved the structural stability and a capacitive retention

of about 82%. Pronounced cycling stability (>1000 cycles) and note-worthy capacitive retentions were also

offered by these composites.

References

[1] Huang, K.; Wang, L.; Liu, Y.; Wang, H.; Liu, Y.; Wang, L., Electrochim. Acta 2013,

109, 587-594.

[2] Zhang, J.; Chen, P.; Oh, B. H. L.; Chan-Park, M. B. Nanoscale 2013, 5, 9860–9866.

[3] Sun, G.; Liu, J.; Zhang, X.; Wang, X.; Li, H.; Yu, Y.; Huang, W.; Zhang, H.; Chen, P.

Angew. Chem. Int. Ed. 2014, 53, 12576-12580.

[4] Gong, Y.; Yang, S.; Zhan, L.; Ma, L.; Vajtai, R.; Ajayan, P. M. Adv. Funct. Mater. 2014,

1, 125-130.

P81

CuNi2S4–g-MoS2 compositebased Screen-Printed Electrodes: An Advanced Catalyst for the

Hydrogen Evolution Reaction

Prashanth S.Adarakatti, 1†Mallappa Mahanthappa,2†Ashoka S3 and Craig E. Banks4*

1Solid State and Structural Chemistry Unit, Indian Institute of Science, Bengaluru – 560012

2Department of Chemistry, Govt. Science College, Bengaluru – 560 001

3School of Engineering, Dayananda Sagar University, Bengaluru – 560 068

4Faculty of Science and Engineering, Manchester Metropolitan University, UK

*Author for correspondenceE-mail: [email protected]

In recent years, an advanced material for the development of hydrogen evolution reaction (HER) using non-

noble-metal catalysts which is having both excellent activity and robust stability has gained much attention.In

this direction, an efficient three-dimensional (3D) hybrid material of copper dinickeltetrasulfide graphene

sheets supporting molybdenum disulfide (CuNi2S4–g-MoS2) nanoparticles with high-performance

electrocatalytic activity for hydrogen evolution reaction (HER) is fabricated by using a facile hydrothermal

route. The prepared materials characterization was recorded using microscopic and spectroscopic

techniqueswhich confirms the resulting hybrid material possesses a 3D furrowed few-layered graphene

network structure decorated with MoS2 nanoparticles. Electrochemical characterization analysis reveals that

the resulting hybrid material exhibits efficient electrocatalytic activity toward HER under acidic conditions

with a low onset potential of 160 mV and a small Tafel slope of 43.41 mV per decade. These results reveal

that the abundance of exposed active sulfur edge sites in the MoS2 and graphene based CuNi2S4 synergistically

responsible for the catalytic activity, whilst the distinguished and coherent interface in MoS2-g-CuNi2S4

facilitates the electron transfer during electrocatalysis.

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P82

Doping phosphorene by holes and electrons through molecular charge transfer

Pratap Vishnoi, S. Rajesh, S. Manjunatha, Arkamita Bandyopadhyay, Manaswee Barua, Swapan K. Pati, and C. N. R.

Rao*

New Chemistry Unit, Theoretical Sciences Unit

International Centre for Materials Science and Sheikh Saqr Laboratory

Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR),

Jakkur P. O., Bangalore-560064 (India)


An important aspect of phosphorene, the novel two-dimensional semiconductor, is whether holes and electrons

can both be doped in this material. Some reports found that only electrons can be preferentially doped into

phosphorene.[1] There are some theoretical calculations showing charge-transfer(CT) interaction with both

donor tetrathiafulvalene (TTF),[2] and acceptor tetracyanoethylene (TCNE).[3] We have carried out an

investigation of chemical doping of phosphorene by a variety of electron donor and acceptor molecules,

employing both experiment and theory, Raman scattering being a crucial aspect of the study.[4,5] We find that

both electron acceptors and donors interact with phosphorene by charge-transfer, with the acceptors having

more marked effects. All the three Raman bands of phosphorene soften and exhibit band broadening on

interaction with both donor and acceptor

molecules. First-principles calculations

establish the occurrence of charge-transfer

between phosphorene with donors as well

as acceptors. The absence of electron-hole

asymmetry is noteworthy.

References

1. Biswanath, C.; Satyendra Nath, G.; Anjali, S.; Manabendra, K.; Chandan, K.; Muthu, D. V. S.; Anindya, D.;

Waghmare, U. V.; Sood, A. K. 2D Materials2016, 3, 015008.

2. Yu, J.; Qing, T.; Peng, H.; Zhen, Z.; Panwen, S. Nanotechnology2015, 26, 095201.

3. Zhang, R.; Li, B.; Yang, J. J. Phys. Chem. C2015, 119, 2871.

4. Vishnoi, P.; Rajesh, S.; Manjunatha, S.; Bandyopadhyay, A.; Barua, M.; Pati, S. K.; Rao, C. N. R.

ChemPhysChem. Accepted. DOI: 10.1002/cphc.201700789.

5. Rakesh, V.; Barun, D.; Chandra Sekhar, R.; Rao, C. N. R. J. Phys.; Condens. Matter.2008, 20, 472204.

115 | P a g e

P83

Investigations of novel solid electrolytes for IT-SOFC Application

Raghvendra1*, Prabhakar Singh2

1Department of Physics, A.R.S.D. College, University of Delhi, New Delhi-110021, India

2Department of Physics, Indian Institute of Technology (BHU), Varanasi-221005, India


The demand for clean, secure, and renewable energy has stimulated great interest in fuel cells. Of the many

types of fuel cells, solid oxide fuel cells (SOFCs) have attracted much attention because of their potential of

providing an efficient, environmentally benign power generation system. A solid oxide fuel cell is an

electrochemical conversion device that produces electricity directly from oxidizing a fuel. Solid oxide fuel

cells are a class of fuel cells characterized by the use of a solid oxide material as the electrolyte. Conventional

electrolyte materials yttria stabilized zirconia (YSZ) operates at very high temperature (~1000 °C) in order to

produce sufficient ionic conductivity for SOFC. Therefore, a key issue to develop intermediate temperature

solid oxide fuel cells (ITSOFCs) which can operates between 400-800 °C, leaded to investigation of new

electrolyte materials with enhanced ionic conductivity intermediate temperature range [1,2]. In view of the

above, we have investigated a few novel electrolyte systems which can be used to operate at intermediate

temperature range having relatively lower cost. We have synthesized and characterized a few different classes

of electrolyte materials which can operate at intermediate temperature range and having the sufficient ionic

conductivity. Electrical conductivity of Sr & Mg doped LaGaO3 (LSGM), Sr & W incorporated La2Mo2O9 and

a few composite solid electrolytes of LSGM, SDC and YSZ systems have also been studied. Electrical

conductivity of these systems is found to be compatible for ITSOFCs. Structural and thermal behaviour

properties have also been explored in correlation to ionic conductivity.

.

Fig. 1. A typical solid oxide fuel cell.Reference:

[1] Materials for Intermediate-Temperature Solid-Oxide Fuel Cells, J.A. Kilner, M. Burriel 44 (2014) 365-393

[2] Intermediate temperature solid oxide fuel cells, D. L. Brett, A. Brandon and S. J. Skinner Chem. Soc. Rev., 37

(2008) 1568-1578.


http://www.annualreviews.org/doi/abs/10.1146/annurev-matsci-070813-113426

http://pubs.rsc.org/en/results?searchtext=Author%3ADaniel%20J.%20L.%20Brett

http://pubs.rsc.org/en/results?searchtext=Author%3AAlan%20Atkinson

http://pubs.rsc.org/en/results?searchtext=Author%3ANigel%20P.%20Brandon

http://pubs.rsc.org/en/results?searchtext=Author%3AStephen%20J.%20Skinner

116 | P a g e

P84

AgBr Evolved Plasmonic Semiconductor Nanostructuresfor VisibleLight Induced

Photocatalysis

Rahul Purbia*, SantanuParia

Department of Chemical Engineering, NIT Rourkela, Odisha


Energy and environment are considered to be critical challenges for the current society. Hybrid noble metal-

semiconductor heterostructure nanoparticles (NPs) have aroused significant attention in the field of plasmonic

photocatalyst because of their better solar light harvesting and solar energy conversion efficiencies under

visible light[1,2]. In this type of heterostructure materials, the enhancement of photocatalytic activity mainly

occurs by the better charge separation at metal-semiconductor interfaces and improved light harvesting

property due to localized surface plasmon resonance (LSPR) effect of plasmonic metal[3,4]. The use of

morphology controlled metal-semiconductor hybrid NPs to harvest solar energy as photocatalyst is the best

way for the energy and environment science. In this context, we have developed different morphology of

Ag/TiO2 plasmonic photocatalyst by use of AgBr NPs as the source material. We coated AgBr NPs with TiO2

and synthesized different shaped Ag/TiO2 nanostructures (rods, trees, sphere, sheets, and yolk/shell) by

varying the synthesis parameters. The resultant nanostructures showed the better absorption of visible light in

the wide region, enhanced charge separation ability, and finally improved photocatalytic and

photoelectrochemicalactivity under visible light. This study is essential to realizing to boost the photocatalytic

performance for solar energy conversion applications under visible light.

References

[1] Mongin, D.; Shaviv, E.; Maioli, P.; Crut, A.; Banin, U.; Del Fatti, N.; Vallée, F. Ultrafast Photoinduced Charge

Separation in Metal–Semiconductor Nanohybrids. ACS Nano2012, 6 (8), 7034–7043.

[2] Atwater, H. A.; Polman, A. Plasmonics for Improved Photovoltaic Devices. Nat Mater2010, 9 (3), 205–213.

[3] Dutta, S. K.; Mehetor, S. K.; Pradhan, N. Metal Semiconductor Heterostructures for Photocatalytic Conversion of

Light Energy. J. Phys. Chem. Lett.2015, 6 (6), 936–944.

[4] Purbia, R.; Paria, S. An Au/AgBr–Ag Heterostructure Plasmonic Photocatalyst with Enhanced Catalytic Activity

under Visible Light. Dalt. Trans.2017, 46 (3), 890–898.

P85

Effect of Mn Substitution in the Pd2Ge Ordered Intermetallic Nanoparticles for Ethanol

Oxidation

A. R. Rajamani, Sumanta Sarkar, Ashly P. Chandran and Sebastian C. Peter*,

New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore, 560064, India.


The electrocatalytic activities of intermetallic compounds in the ethanol oxidation reactions in alkaline media

have been studied, and the results have been compared to pure Pd/C and Pd2Ge. Pd2-xGeMnx nanoparticles


117 | P a g e

were synthesized by superhydride reduction of K2PdCl4, GeCl4 and Mn(acac)2. The syntheses were performed

using a solvothermal method in the presence of TEG. The powder X-ray diffraction (PXRD) shows that Pd2-

xGeMnx nanoparticles were formed as an ordered intermetallic phase. In the Pd2Ge crystal structure, Pd and

Ge atoms occupy two different crystallographic positions with a vacancy in one of the Ge sites, which was

proved by PXRD and energy-dispersive X-ray analysis [1]. Pd2-xGeMnx (x = 0.5, 0.4, 0.3, 0.2, 0.1) exhibited

enhanced electrocatalytic activity when compared to that of pristine Pd2Ge and the commercial Pd/C, in terms

of ethanol oxidation onset potential and current density.

References

[1]. Sarkar, S.; Jana, R.; Suchitra; Waghmare, U. V.; Kuppan, B.; Sampath, S.; and Peter, S. C.; Ordered Pd2Ge

intermetallic nanoparticles as highly efficient and robust catalyst for ethanol oxidation Chem. Mater. 2015, 27, 7459−7467

P86

Facile fabrication of NiFe-LDH and evaluation towards electrocatalytic oxygen evolution

reaction for over all water splitting

Rajini P Antony*, Atindra Mohan Banerjee, Mrinal R Pai, A K Tripathi

Hydrogen Energy and Catalysis Section, Chemistry Division, Bhabha Atomic Research Center, Trombay, 400085,

India


Utilizing highly efficient and low cost electrocatalysts is the prime target of renewable energy technologies

mainly hydrogen production by solar/electrocatalytic water splitting[1].Oxygen evolution reaction (OER)

plays a crucial role in water splitting devices,but the sluggish electron transfer kinetics of the process is of

considerable concern[2].NiFe layered double hydroxides (LDH) are synthesized with this intention and

performance towards OER is explored. A series of catalysts having different Ni to Fe ratio (1-0) are prepared

through a one pot co-precipitation method. X-ray diffraction (XRD) studies of samples showed characteristic

peaks confirming the formation of layer double hydroxides structures. Among all the catalysts prepared NiFe-

LDH having Ni0.46Fe0.54 is showing the best catalyst activity with a Tafel slope of ~67 mVdec-1 and over

potential () of ~360 mV at J= 10 mAcm-2in 1 M KOH (Figurea andb) which is comparable to most of the

state of art OER catalyst [3]. The current density at = 450 mV is ~38 mA cm-2 which point towards the

potential utilization of NiFe based LDH as an anode material for water splitting devices. Further

electrochemical impedance studies (EIS) are utilized to evaluate the charge transfer resistance of NiFe-LDH

catalysts.Minimum Faradaic resistance observed for Ni0.46Fe0.54 indicates favorable stabilization of the OER

intermediate, which supported the highest OER activity among all the compositions investigated. A good

stability during current conditioning (4 hours) and cycling (up to 1000 cycles) is observed Ni0.46Fe0.54-LDH.As

a future step, demonstration of HER activity of the integrated device using NiFe-LDH as an OER catalyst is

planned, to evaluate its commercial utility.



118 | P a g e

Figure: Linear sweep voltammetry of NiFe-LDH recorded in 1 M KOH and (b) variation in Tafel slope and

curren density with change in Ni to Fe ratio(1-0).

Reference:

1. A. J. Bard, M. A. Fox, Artificial Photosynthesis: Solar Splitting of Water to Hydrogen and OxygenAcc. Chem. Res.

1995, 28, 141-145

2. M. W. Kanan, D. G. Nocera, In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing

Phosphate and Co2+,Science.2008, 321, 1072-1075

3. Antony, R. P.; Satpati, A. K.; Bhattacharyya, K.; Jagatap, B. N., MOF Derived Nonstoichiometric NixCo3−xO4−y

Nanocage for Superior Electrocatalytic Oxygen Evolution. Adv. Mater.Interfaces 2016, 1600632.

P87

Enhanced Electrochemical Performance Of LiFepo4/Go By Controlled Solution Combustion Synthesis

S. J. Rajoba1, L. D. Jadhav1*, R. S. Kalubarme2, S. Varma3, and B. N. Wani3

1Electrochemical Energy Materials Laboratory, Department of Physics, Rajaram College. Kolhapur - 416 004, India

2 Department of Physics, Savitribai Phule Pune University, Pune-411007, India

3Chemistry Division, Bhabha Atomic Research Centre, Mumbai-400 085, India

* E-mail: [email protected]

LiFePO4 and LiFePO4 composite material with 2 wt.% graphene oxide (GO) has been synthesized by solution

combustion at stoichiometric oxidant to fuel ratio and physical mixing method, respectively. The structural

and morphological properties of composite have been studied by using XRD, XPS and FE-SEM. The XPS

studies ascertain +2 and +5 oxidation states of Fe and P, respectively. The electrochemical properties have

been studied by using cyclic voltammetry, charge discharge and electrochemical impedance spectroscopy. The

cyclic voltammetry of LiFePO4 reveals redox mechanism of Fe2+/Fe3+. The LiFePO4 and LiFePO4/2GO

delivers specific capacity of 106 and 130 mA.h/g for 1st cycle respectively. Graphene oxide is playing key role

in improving the electronic performance of LiFePO4.

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P88

Indium Selenide Quantum Dots and Cu2ZnSns2Se2 Coated Carbon Fabric For Solar Cells

Ramesh K. Kokal,aSukanya Saha,aPartha Ghosal,bMelepurath Deepa,a*

aDepartment of Chemistry, Indian Institute of Technology Hyderabad, Kandi-502285, Sangareddy, Telangana, India

bDefence Metallurgical Research Laboratory, DRDO, Hyderabad 500058, Telangana (India)


Indium selenide (In2Se3) quantum dots (QDs) as photosensitizers, a highly electrocatalytic copper-zinc-tin-

sulfide-selenide (Cu2ZnSnS2Se2) coated carbon-fabric as counter electrodeand a sulfide/poly(hydroxyethyl

methacrylate)electrolyte gel is used as a hole transport layer for a solar cell. Indium selenide (In2Se3) has a

band gap of 1.87 eV with a λmax value of 660 nm. Mott-Schottky plot confirmed that In2Se3QDs serve as a n-

type semi-conductor. Four layers of In2Se3deposited over a TiO2 electrode yielded a photoanode, which gave

a power conversion efficiency (PCE) of 2.97% with carbon-fabric as the counter electrode.Structural

characterizations (SEM, TEM analysis, X-Ray diffraction) were performed for the photo-active/electro-active

materials. Fluorescence and decay studies were carried out to study charge transfer in the system. The

champion solar cell with a TiO2/In2Se3-S2-/P(HEMA) gel-Cu2ZnSnS2Se2/carbon-fabric architecture delivers a

PCEof 4.15% than a cell with carbon-fabric with PCE of 2.97%. The increase in PCE was 39.7% ongoing

from carbon-fabricto Cu2ZnSnS2Se2/carbon-fabric.Electrochemical impedance spectroscopy (EIS) was

performed to study charge transfer and charge recombination process.These studies reveal the potential of

these non-toxic materials for high performance solar cells.

References

[1] Guijarro, N.; Lutz, T.; Lana-Villarreal, T.; O’Mahony, F.; Gomez, R.; Haque, S. A. Toward Antimony Selenide

Sensitized Solar Cells: Efficient Charge Photogeneration at Spiro -OMeTAD/Sb2Se3 /Metal Oxide Heterojunctions. J.

Phys. Chem. Lett.2012, 3, 1351–1356.

[2] Cao, Y.; Xiao, Y.; Jung, J. Y.; Um, H. D.; Jee, S. W.; Choi, H. M.; Bang, J. H.; Lee, J. H. Highly Electrocatalytic

Cu2ZnSn(S1−xSex)4 Counter Electrodes for Quantum-Dot-Sensitized Solar Cells. ACS Appl. Mater. Interfaces2013, 5,

479−484.

P89

Solvothermal Synthesis of Porous NiCoP for High Performance Electrochemical

Supercapacitors

Ranganatha S, N Munichandraiah

Dept. of Inorganic & Physical Chemistry, C V Raman Avenue, Indian Institute of Science, Bengaluru, India

[email protected]

Porous NiCoP has been synthesized by a one pot solvothermal synthesis. Sample is studied for their

morphology, structure, composition and electrochemical performance as supercapacitor electrode material.

120 | P a g e

The specific capacitance of the as prepared NiCoP is 418 F/g at 8 A/g and 311 F/g at a high specific current

density 20 A/g in 3M KOH. Interestingly, capacity retention after 5000 cycles at high current of 20 A/g is

97%. Porous NiCoP proves to be a superior electrode material by exhibiting high specific capacitance and

very long cycle life.

References

[1] Chunde W et al., RSC Adv., 2017, 7, 26120.

[2] Hanfeng L et al., Nano Energy., 2017, 35, 331-340.

[3] Yu-Mei Hu et al., Electrochim Acta., 2016, 215, 114-125.

P90

Role of Hybrid Calcium Oxide Nanoparticles in Plant Growth Measurement

Ranjithkumar Rajamani1*, A. S. Balaganesh2 and B. Chandar Shekar2

1Kirnd Institute of Research and Development, Tiruchirappalli, Tamilnadu, India.

Nanotechnology Research Lab, Department of Physics, Kongunadu Arts and Science College, Coimbatore, Tamilnadu,

Inida.

E-mail- [email protected] ; [email protected]

Nanoscale materials exhibit novel chemical and physical properties which are different from their bulk form.

The simple and cost effective co-precipitation method is used to prepare the hybrid chitosan calcium oxide

nanoparticles. The crystallite structure, morphology and element composition of prepared chitosan calcium

oxide nanoparticles (Chi-CaO NPs) were analysis using X-ray diffraction, Scanning Electron Microscopy

Energy Dispersive X-Ray spectroscopy (EDS).

The X-ray diffraction analysis the prepared Chi-CaO NPs shows polycrystalline nature with particles size

varies between 1.97nm and 8.94 nm. SEM image revealed agglomeration of Chi-CaO NPs and it can be seen

from the SEM image that the synthesized sample composed of grains of spherical shape. Energy dispersive X-

ray spectroscopy analysis indicates that the Chi-CaO NPs is composed of Ca, O and N elements. The plant

growth progress in lab scale level revealed a significant growth of the Black eye beans plant growth after

treatment of the hybrid Chi-CaO NPs in comparison with untreated after experimental stage. The observation

of the study revealed that hybrid chitosan-calcium oxide nanoparticles can be used to enhance the growth of

Black eye bean plant and inferred that these nanoparticles may be used for other plants also.



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P91

Paracyclophane Functionalized with Metals for Hydrogen Storage: A DFT Study

Rohit Y. Sathe* and T. J. Dhilip Kumar

Indian Institute of Technology Ropar, Rupnagar, 14001, India.


Hydrogen is the most promising candidate for sustainable energy source in transport sector. Storage of

hydrogen is the major problem. Electronic structure calculation study pertaining to [2,2]paracyclophane

functionalized with 2 Li atoms as well as 2 Sc metals on the delocalized pi-electrons of benzene rings. The

metal functionalized system is studied for hydrogen storage efficiency by using the M06 hybrid functional and

6-311G(d,p) basis set. The calculated binding energy indicate Sc metal coordinate strongly while Li coordinate

weakly and the binding is through Dewar mechanism. On saturation with hydrogen [2,2]paracyclophane

complex can hold up to 10 H2 molecules when functionalized with 2 Sc atoms and can hold up to 8 H2

molecules when functionalized with 2 Li atoms via physisorption with hydrogen wt. % of 9.4 and 11.2,

respectively. ADMP simulation study of these complexes at various temperatures revealed various dissociation

patterns of hydrogen molecules while complexes have appreciable thermal stability proving their excellent

hydrogen storage property.

References

[1] Jena, P. Materials for Hydrogen Storage: Past, Present, and Future. J. Phys. Chem. Lett. 2011, 2, 206-211.

[2] Schlapbach, L.; Zuttel, A. Hydrogen-Storage Materials for Mobile Applications. Nature 2001, 414, 353-358.

[3] Züttel, A.Materials for Hydrogen Storage. Mater. Today2003, 6, 24-33.

[4] Li, A.; Lu, R. F.; Wang, Y.; Wang, X.; Han, K. L.; Deng, W. Q. Lithium‐Doped Conjugated Microporous Polymers

for Reversible Hydrogen Storage. Angew. Chem. Int. Ed. 2010, 49 (19), 3330-3333.

[5] Kumar, S.; Dhilip Kumar, T. J. Electronic Structure Calculations of Hydrogen Storage in Lithium-Decorated Metal–

Graphyne Framework. ACS Appl. Mater. Interfaces2017, DOI: 10.1021/acsami.7b098993

P92

Theoretical Study of Charge Transport in Tetra Hydroxy Pyrene (Thp) Based Organic

Semiconductor

Rudranarayan Khatua, Sridhar Sahu*

Department of Applied Physics, Indian Institute of Technology(Indian School of Mines)Dhanbad, Jharkhand-826004

*E-mail: [email protected], [email protected]

We present the charge transport properties of tetra hydroxy pyrene (THP) organic molecule using quantum

chemical density functional theory (DFT). The tetra hydroxy pyrene molecules were optimized using B3LYP

hybrid exchange-correlation functional at 6-311++G (d, p) basis set and the calculation was done at a fixed

temperature of 300K. The reorganization energies were found to be 0.34 eV (λh) and 0.79eV (λe) eV for TMP

molecule. The HOMO and LUMO transfer integrals were calculated as 0.34 eV and 0.19eV at the inter planar


122 | P a g e

distance of3.4 A0, and these were also found to decay exponentially in the translation orientation from3.4 to

4.8 A0, periodically in the shifting from 0 to 6.0 A0 and rotational angle from 00 to 1800, respectively. The hole

and electron mobilities, electron affinity (EA), ionization potential (IP), HOMO/LUMO energy, and HOMO-

LUMO energy gap were also calculated.

References

[1] Y. Shirota and H. Kageyama, Chem. Rev. 107, 953-1010 (2007).

[2] Y. Hu, J. Yin, K. Chaitanya and X. H. Ju, Comput. Theor. Chem. 1072, 63-71 (2015).

[3] T. P. Nguyen, J. H. Shim and J. Y. Lee, J. Phys. Chem. C 119, 11301-11310 (2015).

[4] Y. Shi, H. Wei and Y. Liu, J. Mol. Struct. 1083, 65-71(2015).

[5] S. Y. Rui, W. H. ling, S. Y. Ting and L. Y. Fang, Synth. Met.223, 218-225 (2017).

P93

A facile one pot green synthesis of bimetallic Ag/Au deposited graphene and its improved

photocatalytic H2 evolution under solar light irradiation from water splitting.

M Saikumar, Dr.Vishnu Shanker*

Department of chemistry, National Institute of Technology, Warangal-506004, Telangana, India


Noble- metal nanostructures have been attracted by many scientists because of their surface Plasmon resonance

(SPR) [1]. In another hand, graphene has been used as a prominent supporting material in nanoscience and

techonology [2-3]. Here we report a simple, eco-friendly, facile one pot synthesis of bimetallic Ag/Au

deposited graphene under green conditions by using vitamin-C as a reducing agent and graphene oxide AgNO3

and HAuCl4 as starting materials. It was found that graphene oxide could be well reduced under the reflux

conditions with vitamin-C, while the bimetallic Ag/Au nanoparticles were grown on the graphene surface

simultaneously. Here graphene oxide, AgNO3 and HAuCl4 were reduced by vitamin-C at a time. The reduction

of graphene oxide and synthesized Ag/Au-graphene were confirmed by X-ray diffraction. XRD results show

that the one pot synthesis of bimetallic Ag/Au deposited graphene has all the characteristic peaks of graphene

Ag and Au nanoparticles. SEM, FESEM and TEM were performed to know the morphological characteristics

of Ag/Au deposited graphene. The SEM, FESEM and TEM images clearly indicate that the Ag/Au

nanoparticles are well deposited on the surface of graphene. Furthermore, the synthesised Ag/Au deposited

graphene was characterised by using FT-IR, UV-Vis spectroscopy, EDAX and Raman spectroscopy. For

comparison graphene, Ag-graphene and Au-graphene were also prepared under similar conditions. Finally, the

synthesized nanocomposites effectively applied for H2 evolution from water splitting under solar light

irradiation. The bimetallic Ag/Au graphene shows improved photocatalytic performance compared to

graphene, Ag-graphene and Au-graphene.

References:

[1] M. Pagliaro, Mater. Today, 2017, 20, 49–50.

[2] P. V. Kamat, J. Phys. Chem. Lett., 2011, 2, 242–251.

[3] Y. H. Hu, H. Wang and B. Hu, ChemSusChem, 2010, 3, 782–796.

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P94

MetallatedAzo based Redox Active Porous Organic Polymer for Efficient Water Oxidation

Sajad Ahmad Bhat, Chayanika Das, Tapas Kumar Maji*

Molecular Materials Laboratory, Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced

Scientific Research, Jakkur, Bangalore, India


Water electrolysis is considered as the most promising technology for productionof hydrogen and oxygen.

Developing an efficient, stable and low cost electroctalyst for oxygen evolution reaction (OER) in water

electrolysis is vital to achieve practical water splitting for future clean energy production.1-4 Herein, an azo

based porous organic polymer (POP) containing redox active naphthalenediimide subunit is synthesized and

utilized as an OER catalyst by incorporating active Co(II) within its porous network.5 The presence of azo and

phenolic OH groups within the polymer enables it to chelate Co(II) ion. In this study, two Co(II) embedded

POP as catalyst precursors were obtained with cobalt loading of 8% and 10%. A linear sweep voltammetry

curve showed that a catalytic current density of 10 mA/cm2 can be achieved under a potential of 1.73 V (vs

RHE, corresponding to an overpotential of only 0.5 V) in alkaline solution at pH 13.6. The high efficiency can

be attributed to the good electronic conductivity, inherent porosity and presence of coordinating sites within

the porous organic polymer.

References

1. Wang, J.; Cui, W.; Liu, Q.; Xing, Z.; Asiri, A. M.; Sun, X.,Adv. Mater. 2016, 28, 215–230

2. Han, L.; Dong, S.; Wang, E. Adv. Mater. 2016, 28, 9266–9291.

3. Suen, N. –T.; Hung, S. –F.; Quan, Q.; Zhang, N.; Xu, Y. –J.; Chen, H. M. Chem. Soc. Rev., 2017, 46, 337—365

4. Aiyappa, H. B.; Thote, J.; Shinde, D. B.; Banerjee, R.; Kurungot, S. Chem.Mater.2016, 28, 4375−4379

5. Bhat, S. A., Das, C.,Maji, T. K., unpublished


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P95

Two Step Hydrothermal Synthesis of NiO@Co3O4 Nanocomposite for a Sustainable Oxygen

Evolution Catalysts

Sanchari Banerjee1, Suryakanti Debata1, Rashmi Madhuri2, Prashant K. Sharma1*

1Functional Nanomaterials Research Laboratory, Department of Applied Physics, Indian Institute of Technology (ISM),

Dhanbad, JH-826004

2Department of Applied Chemistry, Indian Institute of Technology (ISM), Dhanbad, JH-826004

Email: [email protected] , [email protected]

With the recent advancement in environmental pollution, a general awareness is growing among mankind

regarding the climatic hazards prevailing throughout and the limitation of energy that is springing up [1].

So,there is a hasty need for a replacement to satisfy the energy cravings without violating the nature’s law and

thus it has been wooing a vast range of research involvement down the lane. With the rise in new technologies,

electrochemical energy has made its own base as it is congruous with the undepletable energy source. With

this new development, electrocatalysis for oxygen evolution and reduction reaction provides a significant role

and so the main strategy of the researchers is to find an active catalysts which are economic and eco amiable

in nature. Transition metals and their oxides are explored and has made a headway in this regard [2]. Their

bountiful reserves in the earth’s crust and lower potential for water oxidation, has grabbed the interest of

researchers [3].In this work, we have synthesized transition metal oxide nanocomposites i.e. (NiO@Co3O4) by

two step hydrothermal method and detailed their chemical, morphological and crystalline properties with the

help of different characterization technique such as Fourier transformed infrared spectroscopy (FTIR), field

emission scanningelectron microscope (FESEM) and X-ray diffaraction (XRD).This material is further used

as an electrocatalyst for the productive OER in alkaline medium and it endows a good electrocatalytic activity

with an overpotential of 320 mV and a Tafel slope of 48 mV Dec-1.

References

[1] Zhang, W; Mian, L; Liquan, F; Jianan, H. Fe/Ni-N-CNFs electrochemical catalyst for oxygen reduction

reaction/oxygen evolution reaction in alkaline media. Appl. Surf. Sci. 2017, 401, 89-99.

[2] Shichang, C; Zihan, M; Haolin, T; Yi, W; Panagiotis, T. 3D Co-N-doped hollow carbon spheres as excellent

bifunctional electrocatalysts for oxygen reduction reaction and oxygen evolution reaction. Appl. Catal. B. 2017, 217,

477-484.

[3] Kim, N,I; Sa,Y,J; Cho,S,H; So, I; Kwon, K, Joo, S,H; Park, J,Y. Enhancing Activity and Stability of Cobalt Oxide

Electrocatalysts for the Oxygen Evolution Reaction via Transition Metal Doping. J. Electrochem. Soc. 2016, 163,

F3020-F3028.



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P96

Conversion of CO2 into Alcohol using Synthesized Titanium based Hetero-Structured Visible Light

Active Photo-Catalyst

Sandip Chakrabartia, Madhubanti Bhattacharyab, Shailesh K. Pandeyb, Babitaa, Monalisa Mukherjeec, Mrinal K.

Mandalb

a. Amity Institute of Nanotechnology, Amity University, Noida (U.P.) – 201030, India

b. Department of Chemical Engineering, National Institute of Technology Durgapur, Durgapur – 713209, India

c. Amity Institute of Click Chemistry Research and Studies, Amity University, Noida (U.P.) – 201030, India


Photocatalytic reduction of carbon dioxide to liquid fuels using solar energy is an attractive feasibility strategy

for capturing this major greenhouse gas and simultaneously solving the shortage of sustainable energy [1].

This accelerated the thrust for low carbon economy drive by phototechnology studied by many researchers. In

this study, to boost up this approach visible light responsive Cu-doped TiO2 nanorods were synthesized by

hydrothermal synthesis method. It improved the visible light activity of photocatalyst and this reduced the

band gap of TiO2. The coupling and the doping was confirmed by XRD and XPS techniques. Visible light

activity of photocatalysts was tested by UV-Vis spectroscopy. Photocatalytic reaction of CO2 reduction was

performed in a lab scale photocatalytic reactor and samples were tested by GC (FID/TCD). It is clear that the

Cu-TiO2 nanorods photocatalyst was found to be better than the rest photocatalysts that were responsive to

visible light and CO2 photocatalytic reduction.

References

1. Kamat P.V.; Manipulation of Charge Transfer Across Semiconductor Interface. A Criterion That Cannot Be

Ignored in Photocatalyst Design. J. Phys. Chem. Lett. 2012, 3, 663−672

P97

Hierarchical Design of CuS Architectures For Visible Light Photocatalysis Of 4-Chlorophenol

Sangeeta Adhikari1, a, Debasish Sarkar2, b and Giridhar Madras1, c*

1Department of Chemical Engineering, Indian Institute of Science, Bangalore-560012

2Department of Ceramic Engineering, National Institute of Technology, Rourkela-769008

E-mail:[email protected], [email protected] and [email protected]

Semiconductor particles have been attracting increasing attention from researchers across the globe because

of their excellent physical and chemical properties with wide-spread applications. Metal sulphides have pulled

in broad consideration in the late years1. CuS is one of the transition metal sulphide semiconductors which has

potential application as electrodes, catalyst, sensors, nanoscale switches, solar cells, non-linear optical

materials, optical filers, recording materials and etc.2. Phenolic compounds has been identified as the most

toxic environmental organic pollutant. Treatments such as chemical oxidation and biological processes are no

longer useful in context of remediation. In this perspective, advanced oxidation processes have been researched




126 | P a g e

extensively. Environmental compatibility and friendliness of this particular process is beneficial and also cost

effective. Conventional methods available in literature for synthesis of CuS structures are hydrothermal

method, solvothermal, thermal evaporation and sol-gel precipitation method 3. In the present work, several

CuS hierarchical architectures were developed and investigated for the degradation of 4-chlorophenol under

visible light irradiation. Different morphologies of CuS were developed in the presence of anionic sulphur

sources during hydrothermal reaction. The dissociation of S2- from the sulphur sources governs the morphology

followed by nucleation and growth of the crystals. The self-assembled covellite spherical CuS-flower

architecture grows in the presence of thiourea and exhibits the highest photodegradation activity. The open

architecture of ~2.3 µm spherical CuS-flowers consisting of ~100 nm sheet thickness provides a comparatively

high surface area and particle growth along (110) plane that provides more active sites for enhancement in

catalytic activity. The catalyst loading for 4-chlorophenol degradation was optimized and a detailed trapping

mechanism has been explored.

References

1. Xu, W.; Zhu, S.; Liang, Y.; Li, Z.; Cui, Z.; Yang, X.; Inoue, A., Nanoporous CuS with excellent photocatalytic

property. Scientific Reports 2015, 5, 18125.

2. Zoolfakar, A. S.; Rani, R. A.; Morfa, A. J.; O'Mullane, A. P.; Kalantar-zadeh, K., Nanostructured copper oxide

semiconductors: a perspective on materials, synthesis methods and applications. Journal of Materials Chemistry C 2014,

2 (27), 5247-5270.

3. Yu, S.; Liu, J.; Zhu, W.; Hu, Z.-T.; Lim, T.-T.; Yan, X., Facile room-temperature synthesis of carboxylated

graphene oxide-copper sulfide nanocomposite with high photodegradation and disinfection activities under solar light

irradiation. Scientific Reports 2015, 5, 16369.

P98

Sustainable Synthesis of Active AC/MoS2 Nanocomposites For Supercapacitor And Hydrogen

Evolution Reactions

Sangeetha D. N. andM. Selvakumar*

Department of Chemistry, Manipal Institute of Technology, Manipal University, Manipal, Karnataka, India – 576104

Email: *[email protected]

High surface area activated carbon (AC) was synthesized from waste dry leaves, through sonication followed

by thermal annealing method. Thesynthesized AC had alarge specific surface area of 1500 m2g-1 and proves

to be a good supercapacitor electrodematerial [1]. Further,for hydrogen evolution with AC, defective sites on

AC (DAC) were createdthrough hydrothermal nitrogen doping and high-temperaturededoping of nitrogen on

AC.The DAC proves to be very good electrode material for hydrogen evolution reaction[2].To enhance the

activity of thesynthesizedAC and DAC, MoS2was synthesized through thehydrothermal method and the

nanocomposites are prepared for supercapacitor and HER [3]. The prepared MoS2 shows dual phase system

namely 1-T (octahedral) and 2-H (trigonal prismatic)phases [4]. The first part of the work involves designing


127 | P a g e

symmetric and hybrid AC/MoS2supercapacitors.The specific capacitanceof261 Fg-1and 190 Fg-1were observed

for symmetric and hybrid AC/MoS2supercapacitors respectively. The increase in the specific capacitance is

accounted for the dual mechanism i.e. anelectric double layer of AC and redox reaction of MoS2. The second

section of the work involves the electrochemical hydrogen evolution reaction of DAC, MoS2 and

DAC/MoS2composites,examined through linear sweep voltammetry using Na2SO4electrolyte. The

nanocomposites of DAC/MoS2 showed much higher electrocatalytic activity than the single component

system.This is due to the presence of the combination of the electroactive sites of, DAC and MoS2electrode

material.

References

[1]. Abioye, A. M.; Ani, F. N.;Renew. Sustainable Energy Rev. 2015, 52, 1282.

[2]. Yan, X.; Jia, Y.;Odedairo, T.; Zhao, X.; Jin, Z.; Zhu Z.; Yao, X.; ChemCommun.2016, 52, 8156.

[3]. Lu, Z.; Zhang, H.; Zhu, W.; Yu, X.; Kuang, Y.; Chang, Z.; Lei, X.; Sun, X.; ChemCommun.2013, 49, 7516.

[4]. Chai, L.; He, J.; Liu, Q.; Yao, T.; Chen, L.; Yan, W.; Hu, F.; Jiang, Y.; Zhao, Y.; Hu, T.; Sun, Z.; Wei, S.; JACS.2015,

137, 2622.

P99

Influence of Polymer Properties on Enzyme Activity

SANKAR GANESH. R, SWAMINATHAN. K, SADHASIVAM. S*

Bioprocess and Biomaterials Lab, Department of Microbial Biotechnology

Bharathiar University, Coimbatore, Tamil Nadu – 641046, India

E-Mail: [email protected]

There has been an increasing interest in enzyme engineering because of vital applications and necessity to

preserve their activity. Polymers are often conjugated to proteins to improve stability. In the present study,

fugal laccase was conjugated with various carbohydrate polymers and investigated for its influence and

activity. The best laccase producing fungi Trametessanguineawas isolated and identified (18S rDNA). The

three critical factor (pH, CuSO4 and wheat bran) were investigated for their interactive effects using Response

Surface Methodology (RSM). Fractional Factorial Central Composite Design (FFCCD) was used for the

optimization of laccase activity and maximum activity about 25 IU/ML was achieved. To address the loss of

enzyme activity on successive runs, polymer conjugation was studied. The enzyme laccase was tested with

three carbohydrate polymers such as chitosan (CS), Carboxymethyl cellulose (CMC) and co-polymer

(chitosan-carboxymethyl cellulose CS-CSM) to study the effect of viscosity on enzyme activity. The CS-CMC

blend/co-polymer has better protect the laccase activitythan CS or CMC. Polymer viscosity measurement

showed that viscosity was not significantly altered with laccase adherence. Effect of temperature on polymer

shielded enzyme activity was studied and maximum laccase activity was well retained by chitosan at 40℃.


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P100

Graphitic Carbon Nitride: An efficient photocatalyst for Fuel Generation from Water

Sankeerthana Bellamkonda and G. Ranga Rao*

Department of Chemistry, Indian Institute of Technology Madras, Chennai 600036, India


The generation of clean hydrogen gas from photocatalytic water splitting by using graphitic carbon nitride (g-

C3N4) as the photocatalyst has attracted considerable research interest.1-3 For practical applications, however,

the photocatalytic activity of g-C3N4 needs to be further improved by, for example, band gap engineering

through heteroatom doping.4,5 In this study, we found that substitution of nitrogen atom with carbon in triazine

ring via co-polymerization of melamine with 2,4,6-Triamino pyrimidine could tune the energy levels of the

conduction band of g-C3N4.Upon substitution of carbon, the band gap energy of g-C3N4is narrowed down from

2.78 to 2.40eV by a negative shift of valence band, enhancingthe electron conductivity, charge carrier

separation and migration. Consequently, the C-modified g-C3N4showed 9.7 times higherphotocatalytic activity

for H2 generation (1493 μmol g-1 h-1) compare to bulk g-C3N4under visible light irradiation.The catalyst also

shows relatively long term stability without degradation during multiple runs. The molecular structure of C-

substituted g-C3N4 is mostly unaltered, as confirmed by the solid state 13C NMR analysis.

References

[1] J. Zhang, G. Zhang, X. Chen, S. Lin, L. Mchlmann, G. Dole, G. Lipner, M. Antonietti, S. Blechert, X. Wang,Angew.

Chem. Int. Ed.2012, 51, 3183

[2] Z. Lin, X. Wang,Angew. Chem. Int. Ed. 2013, 52, 1735

[3] K. Pramoda, U. Gupta, M. Chhetri, A. Bandyopadhyay, S. K. Pati, C. N. R. Rao,ACS Appl. Mater. Interfaces2017, 9,

10664

[4] S. Patnaik, S. Martha, G. Madrasb, K. Parida, Phys. Chem. Chem. Phys., 2016, 18, 28502

[5] Y. Yu, W. Yan, W. Gao, P. Li, X. Wang, S. Wu, W. Song, K. Ding, J. Mater. Chem. A, 2017, 5, 17199

P101

Structural and Magnetic Properties of Cobalt adatom Adsorbed on Group IV Graphene like

2D Sheets

Sapna Singh and Hem C. Kandpal

Department of Chemsitry, Indian Institute of Technology Roorkee, Roorkee – 247667, Uttarakhand.


The objective of this work is to design nanostructures for magnetic storage applications with the help of

theoretical modelling using Density Functional Theory (DFT).

In the era of miniaturization, compact magnetic devices in spintronics and quantum computing inspires efforts


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to search for magnetic nanostructures with giant magnetic anisotropy energy (MAE) and high structural

stability. Typical nanostructures can be molecular magnets like magnetic nanoclusters, nanowires etc. having

very few millielectron volts of magnetic anisotropy energy. The magnetic states of such structures are stable

at low temperatures. Thus, one of the most challenging realm in this field lies in the stability of these magnetic

units at room temperature with high MAE for practical applications.

In this context, we carried out first principles calculations of deposition of Co atom on various substrates

including silicene, germanene, stanene. The inspiration of this work was the study of Xiao and group about

the use of transition metal-carbon systems as magnetic storage bits thereby prediction of MAE of the order of

5 meV of single Co adatom on graphene [1]. However, at room temperature, Co atom floats on graphene [2].

Hence, our idea was depositing Co atom on various graphene like 2d sheets with the help of full potential

localized orbitals technique (FPLO) [3] and check first for the structural stability of Co atom on these two

dimesnional sheets and then study of magnetism and magnetic anisotropy energy in these systems for viability

in applications. Thus, we could successfully arrive at the magnetic energies for all Co@substrate (C, Si, Ge,

Sn) with subsequent steps of structure optimization and magnetic calculations. From our results, we found that

for all the systems of Co@substrate have magnetic moment and even magnetic anisotropy energies (MAE).

For a typical case of Co@Sn, the Co atom gets stabilized at the hexagonal centre of the buckled two

dimensional layer in contrast to the atom top position reported in literature. The Co atom gets embedded in the

hexagonal ring favouring stability in contrast to the mobile nature of Co atom on graphene planar sheet. This

Co@Sn after being stable (w.r.t. einding energy in comparison to Co@G) also retains MAE in contrast to

Co@graphene which is our finding and hence can work as Co@graphene substitute at room temperatures.

References

[1] Xiao, R.; Fritsch, D.; Kuzmin, M.D.; Koepernik, K.; Eschrig, H.; and Richter, M.; Phys. Rev. Lett. 2009, 103, 187201.

[2] Brar, V. W.; Decker, R.; Solowan, H. M.; Wang, Y.; Maserati, L.; Chan, K. T.; Lee, H.; Girit, C. O.; Zettl, A.; Louie,

S. G.; Cohen, M. L.; and Crommie, M. F. Nat. Phys. 2011, 7, 43.

[3] http://www.fplo.de.

P102

Graphene and Carbon Nanotubes based Hybrid Nanocomposites for Supercapacitors

Saptarshi Dhibar1*, C. K. Das2, Sudip Malik1

1Polymer Science Unit, Indian Association for the Cultivation of Science, 2A & 2B Raja S. C. Mullick Road,Jadavpur,

Kolkata–700032, India, 2Materials Science Centre, Indian Institute of Technology Kharagpur, Kharagpur–721302, India


At the present time, the rapidly mounting global economy has caused serious environmental problems and

extreme consumption of fossil fuels, resulting in significant threats to the survival and progress of humankind.

Thus, utilizing sustainable and clean energy in addition to efficient energy storage and conversion technologies

is urgently required. Supercapacitors, also known as electrochemical capacitors or ultracapacitors, have drawn

great attention because they can transport a higher power than rechargeable batteries within a very short period


130 | P a g e

and acquire a higher energy density than conventional dielectric capacitors, which make them promising for

applications such as standby power systems and backup/supplementary power sources for electric vehicles. In

this poster we have highlighted the graphene and carbon nanotubes based hybrid nanocomposites for

supercapacitor. We have synthesized the silver nanoparticles decorated polyaniline /MWCNTs [Ag-

PANI/MWCNT], MnCl2 doped polyaniline/SWCNTs [Mn-PANI/SWCNT] as well as the ternary

nanocomposites based on graphene, poly(3-methylthiophene) and SWCNTs [Gr-PMT-SWCNT] for the

promising electrode materials for supercapacitors. The possible interactions for all the nanocomposites are

studied by different spectroscopes techniques. From the morphological analysis we have observed that the

MWCNTs are uniformly coated by PANI in the presence of Ag nanoparticles for Ag-PANI/MWCNTs,

SWCNTs are uniformly coated by Mn-doped PANI for Mn-PANI/SWCNT, and the formation of a bridge

between PMT-coated SWCNTs and Gr layers in Gr-PMT-SWCNT ternary nanocomposite, respectively. All

the electrochemical characterization were carried out by three electrode system in 1 M KCl solution, where

platinum and saturated calomel electrodes were used as counter and reference electrodes, respectively. The

Ag-PANI/MWCNT nanocomposites showed the specific capacitance of 528 F/g at a 5 mV/s scan rate.

Whereas, the Mn-PANI/SWCNT achieved the specific capacitance of 548 F/g at a 10 mV/s scan rate and the

Gr-PMT-SWCNT ternary nanocomposites showed the specific capacitance of 561 F/g at a 5 mV/s scan rate.

All the nanocomposites showed the better energy density as well as improved power density.

References

[1] Dhibar, S.; Das, C. K. Ind. Eng. Chem. Res. 2014, 53, 3495−3508.

[2] Dhibar, S.; Bhattacharya, P.; Hatui, G.; Sahoo, S.; Das, C. K. ACS Sustainable Chem. Eng. 2014, 2, 1114−1127.

[3] Dhibar, S.; Bhattacharya, P.; Ghosh, D.; Hatui, G.; Das, C. K. Ind. Eng. Chem. Res. 2014, 53, 13030−13045.

P103

Photoelectrochemical Properties of Zinc Stannate (Zn2SnO4) Thin Films Prepared by Spray

Pyrolysis Technique.

Sarfraj H. Mujawar1

1Department of Physics, Mahatma Phule Mahavidyalaya, Pimpri, Pune-411017. INDIA.


In the present work Zinc Stannate (Zn2SnO4) thin films were prepared by simple and inexpensive spray

pyrolysis technique (SPT). The as prepared Zn2SnO4 thin films were further characterized for their structural,

morphological and optical properties by XRD, SEM and UV-VIS spectroscopy respectively. Zn2SnO4 thin

films were uniform and exhibits well defined reflection along (311) plane with the cubic inverse-spinel crystal

structure and band gap energy 3.6 eV. The films were further tested for their plausible application as a gas

sensor for sensing NOx and dye sensitized solar cell application. Thin films of the Zn2SnO4-CdS

heterojunction were studied by using a three electrode electrochemical cell and Na2S as an electrolyte.

Zn2SnO4-CdS system has shown 0.8 mA/cm2 photo-current density whereas with increasing CdS layer

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thickness it has shown marginal enhancement up to 2.1 mA/cm2. The samples also exhibit good stability up to

300 Sec.

P104

Effect of Mn concentration on the Electrochemical Performance of Co1-xMnxOMicrospheres

Dispersed in Low Concentrations (≤ 5 wt %) of Reduced Graphene Oxide

SatyendarSunkaraa, TirupathiRaoPenkib, N. Munichandraiahb, K.B.R. Varmaa andS.A. Shivashankara,c.

a Materials Research Centre, b Department of Inorganic and Physical Chemistry, c Centre for Nano Science and

Engineering, Indian Institute of Science, Bengaluru-560012, India

A novel, benign, and rapid synthesis of Co1-xMnxO (x= 0.33, 0.5, 0.67) mesoporous microspheres with a low

concentration of reduced graphene oxide (RGO) (≤5 wt. %) dispersed in it, is carried out through a microwave

irradiation route. Micron-sized spheres of Co1-xMnxO are first synthesised with and without the addition of

graphite oxide. After subsequent pyrolysis of both the carbonate precursors, the corresponding oxides Co1-

xMnxO-RGO and Co1-xMnxO are obtained, and are investigated for their potential application as anodes for

Li+-ion batteries (LIBs). The operating potential of the samples Co1-xMnxO-RGO is found to increase with

increasing manganese concentration. Co1-xMnxO-RGO microspheres are found to show enhanced

electrochemical performance than bare Co0.67Mn0.33O microspheres. The higher reversible capacity of Co1-

xMnxO-RGO than that of “bare” Co0.67Mn0.33O is ascribed to the presence of RGO.

P105

“Sacrificial Protection in Action!”- Highly Stable Palladesite Mineral towards Oxygen

Reduction Reaction

Saurav Ch. Sarma, Vamseedhara Vemuri, Sebastian C. Peter*

New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore, 560064, India

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It is of utmost importance to design an oxygen reduction electrocatalyst with high durability. Since minerals

are naturally formed and have a high level of stability, so we tried to synthesize naturally occurring Palladseite

mineral (Pd17Se15) in the lab. This binary chalcogenide catalyst has an exceptionally high stability towards

oxygen reduction reaction (ORR) for 50000 cycles. On detailed electrochemical investigation, it has been

found to mimic the properties of metalloenzymes, such as cytochrome oxidase c and tyrosine-244, present in

human body. It has an electron donating selenium center and the active site of palladium is well-protected

within this selenium encapsulation. The synthesized compound has the same crystal structure and atomic

arrangement as the palladseite mineral characterized using XRD and EXAFS. These nanomaterials thus hold

great potential as cathode material in PEMFCs in terms of facile one-pot synthesis, high conductivity without

the support and enhanced ORR durability. DFT calculation on Pd17Se15 reveals that lower adsorption energy

of –O and –OH intermediates together with positive segregation energy of Pd gives stability to the catalyst.

However, weak O2 and –OOH binding energy leads to lower activity of the catalyst which gets better as

selenium gets oxidatively leached from the surface. This work attempts to understand the reason for enhanced

stability of palladseite mineral towards ORR.

References

[1] Stamenkovic, V. R.; Fowler, B.; Mun, B. S.; Wang, G.; Ross, P. N.; Lucas, C. A.; Marković, N. M., Science 2007,

315 (5811), 493-497.

[2] Li, W. M.; Yu, A. P.; Higgins, D. C.; Llanos, B. G.; Chen, Z. W., J Am Chem Soc 2010, 132 (48), 17056-17058

P106

PVA/PDMS/Fatty Acid Composite Nanofibrous Mats with Improved Mechanical Behavior for

Thermo-Regulatory Enclosures

Shama Perween and Amit Ranjan*

Department of Chemical Engineering, Rajiv Gandhi Institute of Petroleum Technology, Jais, Amethi, Uttar Pradesh,

India-229304

E-mail: [email protected] & [email protected]*

In a prior work [1], fabrication of a nanofibrous sheet using electrospinning technique incorporating mixture

of fatty acids (stearic and lauric acids) and polyvinyl alcohol was reported. PVA acted like a guiding polymer

for electrospinning forming the fibrous matrix and fatty acids role was that of a phase change material. It was

demonstrated that these sheets can act like flexible thermoregulating enclosures. A significant drop in eutectic

temperature in the fatty acid binary mixtures was observed when in nanofibrous mats as compared to their

bulk mixtures. However, the nanofibrous sheets incorporating the eutectic composition showed poor

mechanical strength. In this work, we incorporate PDMS (polydimethylsiloxane) as additional component in

the spinning solution which imparts improved mechanical strength to these sheets. Here we have studied pure

stearic acid in PVA-PDMS nanofibrous sheets and thermal, mechanical, and morphological characterizations

of these composite sheets have been performed using DMA, tensile tests, differential scanning calorimetry,

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surface profilometry, and SEM. It was observed that mechanical strength improves by incorporating PDMS

but only up to an optimal concentration. Modeling of the mixtures in the prior work [1] suggested that the drop

in eutectic temperature in the fatty acids binary mixtures may be attributed to a constrained environment of

hydrophilic nature (due to PVA) experienced by the fatty acid mixtures which alters the molecular interactions

between the two components. Incorporating PDMS will also serve to test this conjecture as it will reduce the

hydrophilicity in the fibrous environment. To this end, measurements on hydrophilicity and oleophilicity of

the surfaces of the sheets using contact angle measurements will also be presented. In coming months phase

behavior of the binary mixtures of the fatty acids will be studied in the PVA-PDMS nanofibrous

matrix.Keywords: PVA/PDMS/Fatty Acids, Electrospinning, DMA, DSC, Tensile strength.

References

1. Gupta R., Kedia S.; Shaurakhiya N.; Sharma A.; Ranjan A. Solar Energy Materials and Solar Cells,2016,157,

676-685.

P107

Layer, Site And Stochiometric Dependence Of Co2 Adsorption On Anatase TiO2(001) Surface

Shashi B Mishra1, Somanth C. Roy2 and B. R. K. Nanda1

1Condensed Matter Theory and Computational Lab, Dept. of Physics, IIT Madras, Chennai-36

2Environmental Nanotechnology Lab, Dept. of Physics, IIT Madras, Chennai-36.


Through DFT calculations we have studied the role of layer thickness, site preference, and surface termination

dependence of CO2 adsorption on anatase TiO2(001) surface.Examining the type-I surface termination, as

shown in Fig 1(a),we find that the binding energy saturates beyond six layer thick TiO2 film. The CO2 molecule

is weakly adsorbed via physisorption at all sites except theontop O site. The adsorption on theontop O site is

shown to be characterized by a reasonable charge transfer from the (001) surface to CO2. This causes a

structural transformation of the linear neutral CO2 molecule to a bent configuration, forming a carbonate (CO3)

complex with a binding energy (BE)as large as-2.64 eV. Therefore, for further reduction CO3 complex to

hydrocarbons like methanol or methane, the binding energy needs to be weakened which can be achieved

through type-II termination as shown in Fig 1(b). Our results show that with type-II configuration, the BE for

CO3 formation is close to -1.69eV.

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Figure 1.Type of surface terminations of TiO2(001) surface (a) type-I, (b) type-II. The schematic of possible

adsorbing sites are shown in (c), where x represents the adsorbate.CO2 binding energy variation with respect

to adsorption site and layer termination of (001) TiO2 surface (c). Binding energy on ontop O site is higher for

type-I termination thanfor type-II.

P108

Mechanistic Insights into Hydrogen Activation and Hydrogenation Catalysis by

Frustrated N/Sn Lewis Pairs

Shubhajit Das1

, Swapan K Pati1,2

1New Chemistry Unit,

2Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research,

Bangalore 560064, India

The mechanism of H2 activation by recently reported N/Sn Lewis pairs [1] is unraveled using

the representative iPr3SnOTf/DABCO combination. Computations provide evidence for weak

intermolecular associations between Lewis acid and Lewis base (LA/LB) in which the

counteranion to cationic LA fragment plays a critical role. Two frustrated Lewis pairs (FLPs) are

observed; an unprecedented counteranion-mediated noncovalent LA/LB association is

characterised along with the usual FLP structure. Both the FLPs are shown to be capable of

heterolytic H2 activation through cooperative electron transfer processes involving the N/Sn

centres. [2] We have also explored that how these “activated ” hydrogens can be transferred into

carbonyl compounds affording its reduction to corresponding alcohols. Possible catalytic reaction

routes have been investigated in detail and the results provide solid support for the mechanism

proposed on the basis of experimental observations. We find that instead of Bronsted acid-

activation, which we have previously shown in our earlier related work of B(C6F5)3/Et2O FLP-

catalysed hydrogenation of carbonyl compounds,[3] in this case, the substrate is activated by LA-

complexation. This is followed by subsequent hydride and proton delivery to complete the

carbonyl hydrogenation process. In addition, the feasibility of an alternative autocatalytic reaction

pathway is also examined.[4] Insights obtained in this study are fundamentally important for the

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rational design of Sn-based alternative FLP LAs for hydrogenation catalysis.

References:

[1] Scott, D. J., Phillips, N. A., Sapsford, J. S., Deacy, A.C., Fuchter, M.J., Ashley, A.E. Angew. Chem. Int.

Ed. 2016, 55, 14738.

[2] Das, S., Mondal, S., Pati, S.K. (under revision) [3] Das,S., Pati, S.K. Chem.

Eur. J. 2017, 23, 1078. [4] Das,S., Pati, S.K. (manuscript under preparation)

P109

Synthesis And Characterization Of Nitrogenated Zinc Titanate (N-ZnTiO3) With Strongly

Enhanced Photocatalytic Activity

Somendra Singh, Shama Perween, Amit Ranjan*

* Department of Chemical Engineering, Rajiv Gandhi Institute of Petroleum Technology,

Jais, Amethi, Utter Pradesh, India-229304

E-Mail/ Contact Détails: [email protected]

In visible light photocatalysis the catalytic activity of the catalyst is further improved by presence of visible

radiation. Visible light photocatalysts are promising candidate materials particularly for public health concerns,

as they may expedite the degradation of various environmental pollutants in presence of sunlight. In a prior

work [1] we have reported a facile approach sol-gel followed by electrospinning to produce zinc titanate

(ZnTiO3) nano-powders with improved photocatalytic activity under visible light. The ZnTiO3 nanopowders

prepared by calcining the mats obtained after sol-electrospinning showed improved activity towards

degradation of phenol in presence of visible light as compared to those prepared by conventional sol-gel route

[1]. In this work we aim towards improving the visible-light photoactivity of these materials by doping

nitrogen. Nitrogen is chosen as the dopant atom as it can, in addition to favorably introducing gap states and

narrowing the band gap, suppress the recombination of the photoelectrons and increase the carrier lifetimes,

thereby enhancing the efficiency of the photocatalysis process [2]. It is found that the ZnTiO3 powder obtained

from electrospinning the urea mixed precursor sol strongly enhanced the degradation rate of the phenol.

References

[1] Perween, S.; Ranjan, A. Improved Visible-Light Photocatalytic Activity in ZnTiO3 Nanopowder Prepared

by Sol-Electrospinning. Sol. Energy Mater. Sol. Cells 2017, 163 (December 2016), 148–156.

[2] Cong, Y.; Zhang, J.; Chen, F.; Anpo, M. Synthesis and Characterization of Nitrogen-Doped TiO2

Nanophotocatalyst with High Visible Light Activity. J. Phys. Chem. C 2007, 111 (19), 6976–6982.

P110

Interface engineering in viologen based redox active covalent organic

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networks (COF/COP) via graphene as a universal strategy for pseudocapacitive energy

storage

Soumita Chakraborty and Eswaramoorthy

JNCASR, Bangalore

Electrochemical pseudocapacitors (ECs) bear the advantage of having higher power density as well as high

energy density based on quicker Faradaic charge transfer reactions at the interface. Viologen moieties endow

such frameworks with dual ability of charge storage along with easy wetting of electrode due to their charged

nature. Since COFs/COPs built from simple organic building units are non-conducting in nature, we have

shown that COFs/COPs grown over electrically conducting graphene can enhance the performance by

effective interface engineering between conducting (graphene) and non-conducting COF phases. All the redox

states can be reversibly attained over entire potential regime without significant polarization which is not

possible in simple COFs which tend to show pseudo-reversible behavior due to lack of electron conducting

pathways.

P111

Electrochemical Investigations on Pd100-xCux Compositions for Alkaline Alcohol Fuel Cell

Applications

Sreejith P. Babu, Perumal Elumalai

Electrochemical Energy and Sensors Lab, Department of Green Energy Technology,Pondicherry University,

Pondicherry- 605014 India

E-mail: [email protected]; [email protected]

The incapacity of Pt and Pt-based electrocatalysts to meet the expectations of a state-of-the-art anodic

electrocatalyst for direct alcohol alkaline fuel cells (DAAFCs), owing to low poisoning tolerance and

instability, has shifted attention to Pd-based bimetallic and ternary alloy electrocatalysts.1,2 Palladium alloyed

with transitional metals especially Co, Ni, Au, Cu, Ag, Sn and Ir exhibit enhanced selectivity and

electrocatalytic activity for alcohol oxidation due to the induced electronic perturbations on the Pd.3,4

Preferential adsorption of hydroxyl radicals on the co-catalyst is particularly critical for the rate determining

step to proceed. In this regard, Cu is particularly interesting as a co-catalyst because of its high electronic

conductivity and high oxophillicity. We present an extensive study on the electrocatalytic activity of Pd100-

xCuxcompositions (Pd90Cu10, Pd80Cu20, Pd70Cu30, Pd60Cu40, Pd50Cu50, Pd40Cu60, Pd30Cu70, Pd20Cu80 and

Pd10Cu90) towards electrooxidation of ethanol (EtOH) and ethylene glycol (EG). Characterization of the

electrochemically synthesized materials were performed by field-emission scanning electron microscopy

(FESEM), energy dispersive spectroscopy (EDS), high-resolution transmission electron microscopy (HR-

TEM) and X-ray photoelectron spectroscopy (XPS). Electrochemical investigations were done by cyclic

voltammetry (CV), linear sweep voltammetry (LSV) and chronoamperometry (CA). The electrocatalytic

activity of the Pd100-xCux compositions were quantified by their mass activity (mA mg-1) and onset potential

(V vs. RHE). Interestingly, the higher compositions Pd90Cu10, Pd80Cu20 and Pd70Cu30 exhibited enhanced

activity than pristine Pd for both alcohols. In an interesting discovery, Pd60Cu40 and Pd exhibited similar

137 | P a g e

performance and stability towards ethanol oxidation implying that substituting 40 % of Pd with Cu exhibits

similar activity as pristine Pd and will mark a considerable difference in reducing the cost of the Pd

electrocatalyst in DAAFCs. More details of the investigation will be presented.

References

[1] Ma, L.; Chu, D.; Chen, R. Int. J. Hydrogen Energy2012, 37 (15), 11185–11194.

[2] Zadick, A.; Dubau, L.; Sergent, N.; Berthomé, G.; Chatenet, M. ACS Catal.2015, 5 (8), 4819–4824.

[3] Ruban, A.; Hammer, B.; Stoltze, P.; Skriver, H. L.; Nørskov, J. K. J. Mol. Catal. A Chem.1997, 115 (3), 421–429.

[4] Nørskov, J. K.; Bligaard, T.; Rossmeisl, J.; Christensen, C. H. Nat. Chem.2009, 1 (1), 37–46.

P112

Detrimental Effect of Sodium and Calcium Ions on Visible Light Driven Water Splitting of

Modified Rutile TiO2 Xerogels

Prathyusha K.R a, Mohammed Akbarb, Sruthyraj Pa, Jyothi P.Rc, Resmi M.R.b, SREENIVASAN K Pa*

aDepartment of Chemistry, M.E.S Kalladi College, Mannarkkad, Palakkad-678 583, Kerala, India

bDepartment of Chemistry, Sree Neelakanta Government Sanskrit College Pattambi, Palakkad-679 306, Kerala, India,

c Department of Chemistry, University of Calicut, 673 635, Kerala, India


We report a easy method for the synthesis of sodium and calcium ions modified rutileTiO2 xerogels by

coprecipitation followed by calcination process. The resultant materials were characterized by Powder X-ray

Diffraction (PXRD), Raman Spectroscopy, Ultraviolet-Visible Diffuse Reflectance Spectroscopy (UV-Vis

DRS) and High Resolution Transmission Electron Microscopy (HR-TEM). Presence of sodium and calcium

ions can influence the crystallinity of rutile TiO2. The photocatalytic performances of modified catalysts such

as Na-TiO2, Ca-TiO2, Na-Ca-TiO2 and bare rutile TiO2 materials were evaluated by calculating the amount of

hydrogen evolved during the photocatalytic decomposition of water under visible light irradiation.This study

will be effective in determining the deterimental effect of alkali/alkaline earth metal ions on rutile TiO2

References:

[1] Parayil, S. K.; Kibombo, H. S.; Wu, C. M.; Peng, R.; Baltrusaitis, J.; Koodali, R. T. Enhanced Photocatalytic Water

Splitting Activity of Carbon-Modified TiO2 Composite Materials Synthesized by a Green Synthetic Approach. Int. J.

Hydrogen Energy 2012, 37, 8257−8267.

[2] Kibombo, H. S.; Koodali, R. T. Heterogeneous Photocatalytic Remediation of Phenol by Platinized Titania−Silica

Mixed Oxides under Solar-Simulated Conditions. J. Phys. Chem. C 2011, 115, 25568−25579.

[3] Parayil, S. K.; Kibombo, H. S.; Mahoney, L.; Wu, C. M.; Yoon, M.; Koodali, R. T. Synthesis of Mixed Phase

Anatase-TiO2(B) by a Simple Wet Chemical Method. Mater. Lett. 2013, 95, 175−177.

[4] Parayil, S. K.; Kibombo, H. S.; Koodali, R. T. Naphthalene Derivatized TiO2−Carbon Hybrid Materials for Efficient

Photocatalytic Splitting of Water. Catal. Today 2013, 199, 8−14.


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P113

Non doped electro luminescent device from C3-symetrical organic semiconductor: Improved

e-& h+ mobility upon thermal annealing

Srikanth Birudula[a], Adara B[a], Deepak D prabhu[b], Ratheesh k Vijayaraghavan[a]*

[a] Department of Chemical Sciences, Indian Institute of Science Education and Research IISER- Kolkata, Mohnapur

741246.

[b] Photosciences and Photonics, Science and Technology Division NIIST (CSIR), Trivandrum-695019.

Charge carrier mobility can be a valuable tool to better understand, optimize and design organic transistors

(OTFTs), photovoltaics (OPVs), and light-emitting diodes (OLEDs).Here we present an interesting

observation ofbalanced charge mobility upon thermal annealing in thin film diodes are described in

C3symmetrical FDT-8 donor-acceptor molecule. Interestinglythis D-A molecule has both electron and hole

mobility. The core of the molecule is symmetrically occupied by 1, 3 oxidiazole unit which is well branded

for its electron transporting ability. At the same time towards the periphery, the molecule possess bis-thiophene

unit which is in conjugated with central acceptor unit and known for its hole transporting ability. This make

use of unique structural design with acceptor cored donor decorated structure, the HUMO is found to be centre

at the crust whereas the LUMO is located at the periphery of molecule. We fabricated single layer electro

luminescence device in order to elucidate the charge mobility ability of FDT-8. We observed balanced charge

carrier mobility Due to the polar surface of films thus the electron and hole mobility values are increases

substantially.The electroluminescent devices fabricated out from FDT-8 performs well with a very low turn

on voltage of 4 V and a maximum current efficiency of 0.8 cd/A was obtained for the best device.

References:

1)G. M. Farinola and R. Ragni, Chem. Soc. Rev., 2011, 40, 3467–3482.

2)D. D. Prabhu, N. S. S. Kumar, A. P. Sivadas, S. Varghese and S. Das, J. Phys. Chem. B., 2012, 116, 13071−13080.

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P114

Control Doping of Colloidal PbS Quantum Dot via Uv Treatment for High Performance Solar

Cells Application

Srikanth Reddy Tulsani, Arup Kumar Rath*

Physical and Material Chemistry Division, CSIR- National Chemical Laboratory


Colloidal quantum dot (PbS-CQD) optoelectronics offers a compelling combination of low cost, large area

solution processing, and spectral tunability through the quantum size effects1. Control doping of the CQD

solids is of critical importance to achieve high depletion region and efficient extraction of photo generated

carriers. In this work we used ultraviolet–ozone (UVO) treatment to the PbS-CQD layers for control p-doping.

The brief UVO treatment leads to considerable performance improvement of the solar cell devices, whereas

excessive UVO treatment found to reduce the device performance. The brief UVO treatment (<1 min) leads

to mild oxidation of the CQDs film surface, this allowed to enhances the VOC and FF of the device. The increase

in the photocurrent of the device after the ozone treatment leads to the higher power conversion efficiency

compared with the without ultraviolet– ozone treatment.

References

[1] Jin Young Kim, Oleksandr Voznyy, David Zhitomirsky, and Edward H.Sargent*. Adv.Mater.2013, 25,4986-

5010.

P115

Modified hexamethyldisilazane (HMDS) – assisted synthesis of surfactant free metal

chalcogenide nanoparticles and their applications as catalysts and photoresponsive materials

BillakantiSrinivas and KrishnamurthiMuralidharan*

School of Chemistry, University of Hyderabad, Hyderabad-500 046, India


The capping agents present on the surfaces of nanoparticles unfavourably modify the properties of

thenanostructures. To overcome this, we have developed a method which yields the surfactant or capping agent

free nanoparticles. We have synthesized a series of metal sulfide nanoparticalssuch asCuS, Cu2S[1], CdS,

Ni3S4[2] and Bi2S3

[3]through “hexamethyldisilazane (HMDS) assisted synthetic method”. The synthesized

nanoparticles were characterized thoroughly by the dataobtained from Powder X-ray diffraction (PXRD),

Fourier-transforminfrared spectra (FT-IR), Energy dispersive X-ray analysis(EDAX) and Transmission

electron microscopy (TEM) analyses. Surfactant free nanoparticles were achieved by our developed method

and further studied their applications in catalysis,photocatalysis and photoresponsivebehavior.



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Fig. 1.Schematic representation of synthesis and applications of surfactant free metal chalcogenide

nanoparticles

References:

1. B. Srinivas et al. Journal of Molecular Catalysis A: Chemical 410, 2015, 8–18.

2. B. Srinivas et al. ChemistrySelect 2, 2017, 4753-4758.

3. B. G. Kumar et al. Materials Research Bulletin89, 2017, 108–115.

P116

Ultrahigh Thermoelectric Figure of Merit and Enhanced Mechanical Stability of p-type

AgSb1-xZnxTe2

Subhajit Roychowdhury, Rajarshi Panigrahi, Suresh Perumal and Kanishka Biswas*

Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru-560064, India

High performance thermoelectric materials are desirable in the lower-medium temperature range

(450-650 K) for low grade waste heat recovery. We report a thermoelectric figure of merit (zT) of 1.9

at 585 K in p-type AgSb1-xZnxTe2, which is the highest value measured among the p-type materials

in 450-650 K range. A high average thermoelectric figure of merit (zTavg) of 1.3 is achieved in

AgSb0.96Zn0.04Te2. Moreover, AgSb1-xZnxTe2 sample exhibits hardness value of ~6.3 GPa (nano-

indentation), which is significantly higher than that of the pristine AgSbTe2. Substitution of Zn in

AgSbTe2 suppresses the formation of intrinsic Ag2Te impurity phases, which indeed increases the

thermal and mechanical stability. The lattice thermal conductivity for AgSb1-xZnxTe2 samples are

reasonably reduced compared to the pristine AgSbTe2 due to the significant solid solution point defect

phonon scattering. Aliovalent Zn2+ doping in Sb3+ site in AgSbTe2 increases the p-type carrier

concentration, which boosts the electrical conductivity of AgSb1-xZnxTe2.

141 | P a g e

P117

New Generation Semiconductor Quantum Dots For Led Application

Subhashree Seth*, S. K. Sharma

Department of Applied Physics, Indian Institute of Technology (Indian School of Mines) Dhanbad – 826004, India.

*Corresponding author E mail: [email protected]

Semiconductor quantum dots (QDs) exhibit unique size dependent properties such as tunable band gap, high

luminescence, narrow emission peak, high quantum efficiency, long lifetime and sensitivity due to quantum

confinement effect. These features make them attractive particularly for optoelectronic applications such as

lasers, solar cells, LED and photodetectors. QDs are composed of group II-VI elements (e.g. CdTe, CdSe,

CdS, ZnS, ZnSe, or ZnTe), group III-V elements (e.g. InP or InAs), group IV-VI elements (e.g. PbSe, PbS or

PbTe), group I-III-VI2 elements (e.g. CuInS2 or AgInS2) and also group IV (e.g. Si, C, or Ge). QDs are optically

active from the UV to near IR region of the electromagnetic spectrum. QDs also show excitation dependent

photoluminescence phenomena. Nowadays, the quantum dot LEDs are getting much attention due to their

improved color saturation, high color rendering index, high color purity and stability. By mixing two or more

QDs having different particle sizes, it is possible to produce multiple wavelength LED devices. The scope of

various QDs along with emission characteristics such as wavelength, quantum yield and lifetime for their

suitable application as quantum dot LEDs is discussed.

References:

[1]. Gong, X.; Yang, Z.; Walters, G.; Comin, R.; Beauregard, E.; Adinolfi, V.; Voznyy, O.; Sargent, E.H. 2016, Nat.

Photonics.10,253–257.

[2]. Xu, G.; Zeng, S.; Zhang, B.; Swihart, M.T.; Yong, K. T.; Prasad, P.N. 2016, Chem. Rev.116, 12234−12327.

[3]. Chung, S. R.; Chen, S. S.; Wang, K.W.; and Siao, C.B. 2016, RSC Advances. 6, 51989-51996.

P118

Composite for Electrocatalyticwater Oxidation

Subhasis Das Adhikary, Aarti Tiwari, Tharamani C. Nagaiah* andDebaprasad Mandal*

Department of Chemistry, Indian Institute of Technology Ropar,

Punjab-140001, India


The sustainable production of clean, renewable fuel to quench the worlds increased energy thirst is a big

challenge for upcoming decades [1]. The most viable route to produce molecular hydrogen as carbon free,

renewable fuel is water splitting.In electrocatalytic water oxidation (EWO),the most critical step is oxidative

half reaction of oxygen evolution because of the slow kinetics, multi-electron process, large potential (1.23 V)

and instability of catalysts [2].Numerous studies has devoted to find a suitable catalyst for electrocatalytic

water oxidation but those are either noble-metal based (RuO2, IrO2 etc.) or having organic ligands and most of



142 | P a g e

them are performed in neutral pH media.So, the large-scale application of this system is still hindered by the

stability, high cost, low abundance and poor kinetics of the catalysts.

Polyoxometalates (POMs) are transition metal-oxygen clusters with tuneable solubility,structural diversity,

redox properties and high stability which grasped it in a unique level in catalysis research [3]. In recent years,

sandwich POMs gains remarkable attention in water oxidation due to their multi-electron redox properties,

easy accessibility and high stability.The breakthrough in the field of water oxidation appeared with a tetra-

cobalt sandwich POM [Co4(H2O)2(PW9O34)2]10-(CoPOM),but the catalyst stabilityas well as high

overpotentialin EWO was a big challenge in high pH media. In our previous report we have shown to stabilize

the sandwich POM by using an poly(ionic liquid) matrix [4]. In present work also, we have utilizedpoly(ionic

liquids) as a conductive support to CoPOMand studied EWO in 1M NaOH (pH=14) solution. The polymer

matrix provides both physical and chemical stability to CoPOM in highly alkaline media and increases the

electron shuttling between electrode-electrolyte interfaces. The said composite of polyoxometalatepoly(ionic

liquids) shows outstanding EWO with a low overpotential and a very high current density.

References:

[1]Karkas, M. D.; Verho, O.; Johnston, E. V.; Akermark, B.,Chemical Reviews 2014, 114, 11863.

[2] Süss-Fink, G.,Angewandte Chemie International Edition 2008,47, 5888.

[3] Gouzerh, P.; Proust, A.,Chemical Reviews 1998,98, 77.

[4] Singh, V.; Adhikary, S. D.; Tiwari, A.; Mandal, D.;Nagaiah, T. C.,Chem. Mater. 2017, 29, 4253.

P119

Electrochemical, Top-Down Nanostructured Pseudocapacitive Electrode for Enhanced Specific

Capacity and Cycling Efficiency

Sudeshna Mondal #, Jayeeta Saha#, Vishwanath Kalyani #, Chandramouli Subramaniam*

Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076;


Stabilization of the electroactive redox centers on ideally polarisable conductive electrodes is a critical

challenge for realizing stable, high performing pseudocapacitive energy storage devices. Here, we report a top-

down, electrochemical nanostructuring route based on voltammetry cycling to stabilize β-MnO2 on a single

walled carbon nanotube (CNT) scaffold from MnMoO4 precursor. Such in-situ nanostructuring results in

controlled disintegration of the ~8 µm, almond like structure to form ~29 nm, β-MnO2 resulting in an 59%

increase in the specific surface area and 31 % increase in porosity of the pseudocapacitive electrode.

Consequently, the specific capacitance and areal capacitance increases by ~75% and ~40%. Such controlled,

top-down nanostructuring is confirmed through binding energy changes to Mo 3d, C 1s, O 1s and Mn 2p

respectively in XPS. Further, Raman spectral mapping confirms the sequential nanostructuring initiating from

the interface of CNTs with MnMoO4 and proceeding outwards. Thus the process yields the final CNT/β-MnO2

electrode that is electrically conductive, facilitates rapid charge transfer, increased capacitance and longer

stability.

143 | P a g e

References:

[1] Augustyn, V.; Simon, P.; Dunn, B. Energy Environ. Sci., 2014, 7, 1597.

[2] Liu, T.C.; Pell, W.G.; Conway, B.E.; Roberson, S.L. J. Electrochem. Soc., 1998, 145, 1882.

[3] Futaba, D.N.; Hata, K.; Yamada,T.; Hiraoka, T.; Hayamizu, Y.; Kakudate, Y.; Tanaike, O.; Hatori, H.; Yumura, M.;

Iijima, S. Nat. Mater., 2006, 5, 987.

[4] Najafabadi, A.I.; Yasuda , S.; Kobashi , K.; Yamada, T.; Futaba, D.N.; Hatori, H.; Yumura, M.; Iijima. S.; Hata, K.

Adv. Mater., 2010, 22, E235.

[5] Lukatskaya, M.R.; Kota,S.; Lin, Z.; Zhao, M.Q.; Spigel, N.; Levi, M.D.; Halim, J.; Taberna, P.L.; Barsoum, M.W.;

Simon, P.; Gogotsi,Y. Nat. Energy, 2017, 2, 17105.

P120

Binary Mixture of Ionic Liquid and Acetonitrile as a Potential Electrolyte for Dye Sensitised

Solar Cell

SUMANA BRAHMA, RAMESH L. GARDAS, KOTHANDARAMAN R*

DEPARTMENT OF CHEMISTRY, INDIAN INSTITUTE OF TECHNOLOGY MADRAS, CHENNAI 600036,

INDIA, E-mail: rkraman @ iitm.ac.in

Ionic liquids (ILs) are synthetic organic salts, composed of organic cations and weakly co-ordinated anions

with melting point ≤100 °C. The low symmetry of ions and delocalized charge reduces the electrostatic

interaction between the ions drops down the melting point of ILs. Owing to unique properties such as negligible

vapour pressure, wide liquidus range, excellent conductivity, adjustable viscosity etc. ILs havebeen proved as

an good alternate of organic solvent of wide range of industrial applications including as electrolytes in solar

cells, solvents, catalysis, pharmaceuticals, extraction etc.1-2

Herein, we have synthesized severalcyclic ammonium-based aproticionic liquids and characterized by FTIR

and 1H &13C NMR analysis. The thermal properties of ionic liquids were studied using TGA and DSC.

Further, transport properties like viscosity, conductivity of binary mixtures of ILs were studied in acetonitrile

solvent at different concentrationsover a temperature range 293.15 to 328.15 K.These transport properties

will rationalize the role of binary mixture of ionic liquids as an electrolyte in dye sensitized solar cell

(DSSC) within the working range of electrodes. In spite ofrelatively high viscosityof ILs / their binary

mixture(compared to organic solvent electrolytes), they presents more desirable high short-circuit current in

DSSCs, whichis explained by conduction mechanism of electrolyte and redox couple.3

References

[1] Hallett, J. P.; Welton, T. Chem. Rev. 2011, 111, 3508−3576.

[2] Tshibangu, P. N.; Ndwandwe, S. N.; Dikio, E. D.Int. J. Electrochem. Sci. 2011,6, 2201-2213

[3] Papageorgiou, N.; Athanassov, Y.; Armand, M.; Bonhote P.; Pettersson H.; Azam, B.; Gratzel, M.J. Electrochem.

Soc.1996, 143, 3099-3108.

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P121

Modified aqueous solvent synthesis of Ultra bright Quantum Dots for optoelectronic

applications

R Sundheep, R Prasanth*

Nanophotovoltaics Laboratory, Centre for Green Energy Technology, Pondicherry University, Pondicherry, India -

605014, Email: [email protected]

Quantum dots are tipped to be materials for future electronic devices due to their advantageous and tunable

electronic properties and their ease of synthesis.1Direct application of QDs into device architecture synthesized

via aqueous based solvent system is now the main focus of research as it is more environmental friendly,

reproducible and cost effective. CdTe quantum dot based sensitized solar cells2 and high efficiency light

emitting diodes in the deep red region were demonstrated from quantum dots synthesized via environmental

friendly methods3. In this paper we study the solvent dependent growth rate and the positive influence of

alcohols as co-solvent on the PLQY of core shell quantum dots in water and water alcohol solvent mixtures.

Enhanced solubility of capping agent in water alcohol solvent mixture leading increased sulfur groups in the

reaction pathway resulting in surface reconstruction of QDs with low defect state leading to increased PLQY

of QDs. PLQY of the quantum dots increases from 9% to 85% due to the combined effect of lattice strain

controlledshell growth and efficient surface reconstruction. The radiative and non-radiative lifetime of the QDs

is found to intricately depend on the solvent of synthesis. We propose that PLQY enhanced quantum dots with

type II band alignment with instantaneous charge separation can be effectively used as photo absorber materials

in sensitized solar cells architecture leading to high efficiency solar cells.

References:

(1) Hines, D. a; Kamat, P. V. Recent Advances in Quantum Dot Surface Chemistry. ACS Appl. Mater.

Interfaces2014, 6, 3041–3057.

(2) Yang, J.; Zhong, X. CdTe Based Quantum Dot Sensitized Solar Cells with E Ffi Ciency Exceeding 7 %

Fabricated from Quantum Dots Prepared in Aqueous Media. J. Mater. Chem. A Mater. energy Sustain.2016, 4, 16553–

16561.

(3) Lin, Q.; Song, B.; Wang, H.; Zhang, F.; Chen, F.; Wang, L.; Li, L. S.; Guo, F.; Shen, H. High-Efficiency Deep-

Red Quantum-Dot Light-Emitting Diodes with Type-II CdSe/CdTe Core/shell Quantum Dots as Emissive Layers. J.

Mater. Chem. C2016, 4, 7223–7229.

P122

Rapid PrecipitationFree Synthesis of Zinc Oxide Nanowire Arrays by MicrowaveAssisted

Hydrothermal Methods

Surajit Ghosh, Jayanta Chakraborty

Dept. of Chemical Engineering, Indian Institute of Technology Kharagpur, West Bengal, India, 721302


145 | P a g e

Zinc oxide nanorod/ nanowire arrays on the transparent conducting substrates has wide electronic and

optoelectronic applications. Hydrothermal synthesis for the growth of nanostructures is very simple and

inexpensive method. Due to the slow growth rate in the conventional hydrothermal method, microwave

assisted hydrothermal method was applied for faster growth of such nanostructures. As microwave radiation

causes heating of bulk of the liquid, a large amount of precipitation of zinc oxide occurs in the growth

solution. Such precipitations are highly undesired due to wastage of a lot of raw materials and possible surface

contamination that affects the rational design of electronic devices. Such precipitations can be prevented by

maintaining high basic condition with the addition of certainconcentration of ammonia and polyethylenimine

where growth solution is heated in a closed container or continuously circulating the fresh growth solution.

Microwave assisted heating in a closed container can lead to an explosion due to large pressure

generation.Hence, controlled set of equipment is necessary. Continuous circulation of fresh growth solution

leads to wastage of a large amount of unreacted raw materials. Hence, a rational design of such microwave

assisted growth process of ZnOnanorod/ nanowire arrays is highly essential for large scale production.

In this work, we have reported a precipitation free hydrothermal method of ZnO nanowire arrays in an open

vessel in a domestic microwaveoven. Instead of circulation of fresh growth solution, only distilled water was

added continuously to maintain the basic condition and the concentration of raw materials of the growth

solution. Water was added just to balance water evaporated from the open vesselduring themicrowaveassisted

heating. Growth rates of the ZnO nanowires and surface topography were studied at various basic conditions

and zinc salt concentrations. Such nanowires were applied in dye sensitized solar cells to elucidate their

electronic properties.

P123

Amla mediated facile reduction of graphene oxide, its dye elimination and antioxidant

properties

D. Suresh

Department of Chemistry, Tumkur University, Tumkur 572103, Karnataka, India

Email:[email protected].

The study reveals a simple and efficient method for the green reduction of graphene oxide (GO) employing

Amla(Emblicaofficinalis) fruits. Reduction of graphene oxide was achieved by refluxing with Amla fruit juice

in 30 min at 100 OC. The reduced Graphene Oxide (rGO) was characterized by XRD, TEM, Raman and UV

– Visible studies. Dye elimination and antioxidant properties of rGO were studied in detail. The

characterization studies unequivocally demonstrate the formation of exfoliated rGO upon reduction of GO

using Amla fruit juice. Methylene blue (MB) and Malachite green (MG) dyes were found to eliminate

completely within 30 min. in dark in the presence of rGO. The prepared rGO was found to have IC50 value of

846 µg/ml towards quenching of DPPH (1,1-Diphenyl-2-picrylhydrazyl) free radicals. The investigation

illustrates anenvironment friendly approach for the preparation of multifunctional rGOusing very common

plant product.

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P124

Nanostructured rGO-Ni(OH)2 Modified Pencil Graphite Electrodes for Electrochemical Water

Splitting

Suryakanti Debata1, Santanu Patra2, Sanchari Banerjee1, Rashmi Madhuri2 and Prashant K. Sharma1*

1Functional Nanomaterials Research Laboratory, Department of Applied Physics, Indian Institute of Technology

(Indian School of Mines) Dhanbad, JH 826004, India

2Department of Applied Chemistry,Indian Institute of Technology (Indian School of Mines) Dhanbad, JH 826004, India

E-mail:[email protected], *[email protected]

In the pursuit of clean and sustainable energy production, several efforts have been put in the field of renewable

energy technologies.Energy generation by water-splitting is one of the efficient techniques, which would be

helpful in resolving the economic and environmental issues raised by the fossil fuels.Therefore, designing

efficient water electrolyzers, with effortless cathodic and anodic reactions is of great importance.Although

some noble metals and their oxides (Pt, RuO2 and IrO2) participate actively in catalysing the half-cell reactions

i.e. hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), but their high-cost, scarcity and

low stability limit the commercialization of such systems. The nano-dimensional catalysts, designed by the

earth abundant transition metals are in the front line of this research area. Transition metal oxides, hydroxides,

phosphides, carbidesand their hybrid structures are extensively studied for electrocatalytic water-splitting.

Herein, we have developed a highly active reduced graphene oxide-Ni(OH)2(rGO-Ni(OH)2) nanocatalyst by a

facile hydrothermal route. The well oriented Ni(OH)2 plates are assembled to form a flower like morphological

featureover the rGO sheets, which provides a high exposure of the material for the electrochemical

reaction.Based on this, the nanomaterial serves as a good bifunctional catalyst for both OER and HER in 1.0M

KOH. The onset potential of+1.54 V and -0.27 V vs. RHE are obtained for OER and HER respectively for

rGO-Ni(OH)2, which is lowerthan the pure Ni(OH)2 and rGO nanomaterials. The low Tafel slope of 40.7

mV/dec for OER and 143.9 mV/dec for HER are also obtained for rGO-Ni(OH)2, which enable faster reaction

kinetics of the electrodes. In the electrocatalytic overall water-splitting, rGO-Ni(OH)2have showna low onset

potential (1.49 V)as well as high stability, which is better in comparison to similar materials reported in the

literatures.

P125

Unsupported Noble Metal Free Materials as Efficient Catalysts for Overall Water-Splitting

Vamseedhara Vemuri, † Sumanta Sarkar, † Swetha Ramani, † Sebastian C Peter

*New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore-560064, India


A comprehensive set of experimental investigations were carried out on first row transition metal oxides (Co,

Fe, Ni, Mn) having a nano box morphology as a potential catalyst material for complete water splitting where

Cu2O Nano boxes were used as a sacrificial soft template. We have done a complete study by varying the



147 | P a g e

transition metals (Co, Fe, Ni, Mn) used, concentration of the precursor salts (0.1-2 mM) and the concentration

of the electrolyte (0.1M, 0.5M and 1M KOH) for OER and their effect on the activity of electrochemical

hydrogen evolution and oxygen evolution reactions. These oxide nano boxes were further converted to their

corresponding sulphides by using simple hydrothermal method. Amongst them, the Co and Ni based oxides

having 0.5 mM concentration of precursors showed superior activity for electrochemical oxygen evolution in

1M KOH and their corresponding sulphides in 0.5M H2SO4 for hydrogen evolution reaction respectively.

References :

1. Wang, Y.; Zhang, Y.; Liu, Z.; Xie, C.; Feng, S.; Liu, D.; Shao, M.;Wang, S. Layered Double Hydroxide Nanosheets

with Multiple Vacancies Obtained by Dry Exfoliation as Highly Efficient Oxygen Evolution Electrocatalysts. Angew.

Chem., Int. Ed. 2017, 56, 5867−5871.

2. Liu, B.; Zhao, Y.-F.; Peng, H.-Q.; Zhang, Z.-Y.; Sit, C.-K.; Yuen, M.-F.; Zhang, T.-R.; Lee, C.-S.; Zhang, W.-J.

Nickel−Cobalt Diselenide 3D Mesoporous Nanosheet Networks Supported on Ni Foam: An All-pH Highly Efficient

Integrated Electrocatalyst for Hydrogen Evolution. Adv. Mater. 2017, 29, 1606521

P126

Study of Trap States in Perovskite Solar Cell for Different Relative Humidity Conditions

Varun Srivastava, Sathy Harshavardhan Reddy, Minu Mohan, Adara B, Manoj A G Namboothiry*

School Of Physics, Indian Institute of Science Education and Research Thiruvananthapuram (IISER TVM), Maruthamala

PO, Vithura, Thiruvananthapuram-695551, Kerala, India


Organic-inorganic hybrid perovskite has emerged as a highly promising material in the photovoltaic research

community. The film quality of the crystalline perovskite is highly dependent on humidity which in turn affects

the performance and stability of the device. An optimum grain size and film thickness are the key factors

determining the efficiency of the perovskite solar cell. In this work, the effect of film quality on the device

performance has been discussed for various relative humidity conditions. Improvement in the film quality has

a significant role in the enhancement of charge transport in perovskite solar cells. Capacitance-Voltage (C-V)

and hysteresis measurements were performed in order to study the capacitive behavior of the device fabricated

under the high (> 60%), medium (30%-60%) and low (< 30%) relative humidity conditions. This in turn reveals

about the trap states (defect densities), ferroelectric properties and interstitial defects in the different relative

humidity states .

References

[1] Eperon G E, Burlakov V M, Docampo P, Goriely A and Snaith H J, Advanced Functional Materials, 2014, 24, 151 –

157.

[2] You J, YangY (Michael), Hong Z, Song T B, Meng L, Liu Y, Jiang C, Zhou H, Chang W H, Li G, and Yang Y,

Applied Physics Letters, 2014, 105, 183902.

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P127

Superior Performance of Amorphous Titanium Niobium Oxide Thin Films for High Energy

Storage Rechargeable Micro-Batteries

V. Daramalla1, G. Venkatesh2, N. Munichandriah2, and S. B. Krupanidhi1

1Materials Research Centre, Indian Institute of Science, Bangalore-560012, India

2Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore-560012, India

E-mail: [email protected] and [email protected]

The titanium niobium complex oxide (TNO) materials have been emerging as alternative to replace

commercial lithium titanate (LTO) and graphite as anode materials in rechargeable Li-ion batteries [1]. Owing

to their unique monoclinic layered crystal structure and multiple redox couple, they offer high theoretical

capacity (≈ 387.6 mAh g−1 with 5 Li ions per formula unity (TiNb2O7),good reversible kinetics and average

lithium insertion voltage ~ 1.64 V which avoids the formation SEI layer during lithiation. However, there are

major challenges such as improving their electronic conductivity and lithium ion diffusivity which need to be

well-addressed for their commercial usage.The amorphous oxide materials have been widely considered as

alternatives. Theyoffer large ionic conductivity and highlithium diffusion coefficient, due to their structural

disorder and absence of grain boundaries [2]. In our earlier work, we have been successful in synthesizing

monoclinic TNO electrode thin filmsand also demonstrated their efficient usage in rechargeable Li-ion micro-

batteries. In this work, we have developed amorphous TNO thin films and studied their electrochemical

performance in half-cell rechargeable Li-ion thin film batteries [3]. The amorphous of TNO thin films offer

superior energy storage properties over their crystalline TNO and commercial LTO electrodes, with

remarkable high initial discharging capacity 226 μAh/μm1cm2(460 mAh /g at 17 μA /cm2 current density),

excellent coulombic efficiency, reversible kinetics and stable crystal structures. These results are very

encouraging towards optimizing and developing amorphous based soli-state thin film batteries for powering

next generation portable-wearable technology and IoT sensors applications.

References

[1] Han, J.-T.; Huang, Y.-H.; Goodenough, J. B., New anode framework for rechargeable lithium batteries. Chemistry of

Materials 2011,23 (8), 2027-2029.

[2] Park, H.; Shin, D. H.; Song, T.; Park, W. I.; Paik, U., Synthesis of hierarchical porous TiNb2O7 nanotubes with

controllable porosity and their application in high power Li-ion batteries. Journal of Materials Chemistry A 2017,5 (15),

6958-6965.

[3] Daramalla, V.; Penki, T. R.; Munichandraiah, N.; Krupanidhi,S.B., Fabrication of TiNb2O7 thin film electrodes for

Li-ion micro-batteries by pulsed laser deposition. Materials Science and Engineering: B 2016,213 (Supplement C), 90-

97.



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P128

In-Situ Grown Nickel Selenide onto Graphene as an Efficient Hybrid Counter Electrode for

High Performance Dye Sensitized Solar Cell

Vignesh Murugadoss, Subramania Angaiah*

Electrochemical Energy Research Lab, Centre for Nanoscience and Technology,

Pondicherry University, Puducherry - 605 014, India.


Nickel selenide (NiSe) nanoparticles were grown onto graphene nanosheets by hydrothermal method to

integrate the advantages of high specific surface area of graphene and homogeneously immobilized catalytic

sites of NiSe. The physical and electrochemical properties of NiSe/GN nanohybrids were tuned by optimizing

the mass ratio of NiSe and graphene and it was found to be 1:0.50 (NiSe/GN0.50).The optimized NiSe/GN0.50

nanohybrid exhibits higher electrocatalytic activity and electrolyte diffusion. Thus, NiSe/GN0.50 exhibited an

improved photo-conversion efficiency (PCE) of 12% (ƞ = 8.62%) than the standard Pt (ƞ = 7.68%) for DSSC.

This improved PCE mainly originated from the excellent catalytic ability of NiSe and multiple interfacial

electron transfer pathway of graphene, resulting in enhanced charge transfer and fast reaction kinetics of

triiodide reduction at the counter electrode/electrolyte interface. The results obtained from the cyclic

voltammetry, electrochemical impedance spectroscopy and Tafel polarization studies demonstrate the

synergistic effect between NiSe and graphene and high possibility of this nanohybrid as an efficient counter

electrode for high performance DSSC.

References

[1] Saranya, K.; Sivasankar, N.; Subramania, A., Microwave-assisted exfoliation method to develop platinum-

decorated graphene nanosheets as a low cost counter electrode for dye-sensitized solar cells. RSC Adv. 2014,4 (68), 36226-

36233.

[2] Murugadoss, V.; Wang, N.; Tadakamalla, S.; Wang, B.; Guo, Z.; Angaiah, S., In situ grown cobalt

selenide/graphene nanocomposite counter electrodes for enhanced dye-sensitized solar cell performance. J. Mater. Chem.

A 2017,5, 14583-14594.

[3] Jia, J.; Wu, J.; Tu, Y.; Huo, J.; Zheng, M.; Lin, J., Transparent nickel selenide used as counter electrode in high

efficient dye-sensitized solar cells. J. Alloys Compd. 2015,640, 29-33.

[4] Elayappan, V.; Murugadoss, V.; Angaiah, S.; Fei, Z.; Dyson, P., Development of a conjugated polyaniline

incorporated electrospun poly(vinylidene fluoride-co-hexafluoropropylene) composite membrane electrolyte for high

performance dye-sensitized solar cells. J. Appl. Polym. Sci. 2015,132 (45), 42777.

[5] Salam, Z.; Vijayakumar, E.; Subramania, A.; Sivasankar, N.; Mallick, S., Graphene quantum dots decorated

electrospun TiO2 nanofibers as an effective photoanode for dye sensitized solar cells. Sol Energy Mater Sol Cells

2015,143, 250-259.


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P129

Cobalt Embedded Nitrogen-Doped Graphite Oxide as A Significant Bifunctional Electrocatalyst for

Oxygen Reduction and Oxygen Evaluation Reactions

Vijay Vaishampayan,a,b Indrajit Patilb and Bhalchandra Kakadeb*

a,bDepartment of Chemical Engineering, SRM University, Kattankulathur-603203, Chennai (India)

bSRM Research Institute, SRM University, Kattankulathur-603203, Chennai (India)


The high cost and limited natural abundance of platinum (Pt) based catalysts resist its widespread application

for efficient energy conversion devices. Additionally, it is an immense challenge to develop bifunctional

electrocatalysts for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in low-temperature

fuel cells and rechargeable metal-air batteries. In the present study, we have shown the simple and inexpensive

method for the insertion of transition metal especially cobalt (Co) on the surface of nitrogen doped graphite

oxide (NGO). The obtained samplewas initially characterized by X-ray diffraction (XRD), scanning electron

microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), energy-dispersive X-ray spectroscopy

(EDS) technique and finally detailed electrochemical studies were carried out using a standard three-electrode

system. The elemental composition was confirmed through EDS technique. Importantly, morphological study

distinctly shows cobalt oxide decorated crumpled and wrapped GO sheets, which favors superlative situation

for better oxygen adsorption or desorption in electrochemical reactions. The atomic linkage of C-N, -NH etc.

in the resultant sample was confirmed by FTIR analysis. Interestingly, the electrochemical study shows that

the Co/NGO-6h sample (sample prepared with 6 h hydrothermal reaction) shows an excellent electrocatalytic

activity with most positive ORR onset potential of 0.9 V vs RHE with asubstantial increase in current density

of 4.4 mA/cm2 at 1600 rpm in alkaline condition. Further, it exhibits appreciably better catalytic activity

towards OER at low overpotential under similar conditions. Additionally, Co/NGO-6h catalyst does not show

any methanol oxidation reactions that nullify the issues due to fuel crossover effects in direct methanol fuel

cell applications. Though the ORR onset potential is inferior to Pt-based catalysts, we believe that upon proper

optimization, it could be a promising cathode catalyst for low-temperature fuel cells applications.

References

[1] A. J. Bard and L. R. Faulkner, Electrochemical Methods: Fundamentals and Applications, Wiley, 2nd edition, 2000.

P130

Polyoxometalate Assisted Bifunctional Catalyst towards HCl Electrolysis

Vikram Singh, Subhasis D. Adhikary, Aarti Tiwari, Debaprasad Mandal* and Tharamani C. Nagaiah*

Department of Chemistry, Indian Institute of Technology Ropar, E-mail:[email protected]

In the chemical industries, chlorine is one of the most widely used chemical and often applied as a modifier or

as an aid to manufacture other chemicals. In the past few decades, the demands of chlorine products like

polyvinyl chloride (PVC) and polyurethane (PU) has been increased significantly, but their preparation

chemistry results into hydrogen chloride or chlorine salts as waste byproduct. Hence, an intelligent way of



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valorizing the HCl produced as byproduct is the recycling strategy for its conversion into high-purity chlorine.

Recycling of high-purity chlorine from HCl is still challenging due to lack of stable and sustainable catalysts

for HCl electrolysis. This study brings out an efficient and stable composite capable of producing high-purity

chlorine at anode and bi-functionally reducing oxygen at cathode as well. The proposed composite comprises

of a polyoxometalate [WZn3(H2O)2(ZnW9O34)2]12- (ZnPOM) over a conductive support of carbon nanotubes

via.a conductive polymer linker polyvinylidene-butyl-imidazolium (PVIM). Its various attributes has been

analyzed electrochemically by employing cyclic voltammetry, chronoamperometry and rotating disc electrode

measurements. These studies reveal superior activity of the composite as a bifunctional catalyst for ODC and

Cl2 evolution under HCl electrolysis conditions. Long term stability was comparable to the state-of-art Rhx-

Sy/C even under multiple shutdown to open circuit potential via.chronoamperometry. The scanning

electrochemical microscopic (SECM) measurements reveal that the composite exhibits heightened activity.

Therefore, our cost effective and eco-friendly composite zips up the major challenge associated with HCl

electrolysis.

P131

Spark plasma assisted reactive synthesis and Densification of Nanocrystalline Magnesium

Silicide Compound

Vivekanandhan Porselvan*, Murugasami Ramasamy, Kumaran Sinnaeruvadi

1Green Energy Materials and Manufacturing Research Group, Department of Metallurgical and Materials Engineering,

National Institute of Technology, Tiruchirappalli – 620 015, Tamil Nadu, India.

E Mail: [email protected]

Magnesium silicide (Mg2Si) is considered as a promising candidate among semiconducting materials for

thermo-electric energy harvesting at medium functional temperature range (room temperature – 600˚C) due to

its light weight, good thermo-physical properties and economically inexpensive. However, synthesis of pure

Mg2Si compound through conventional metallurgical processes are found to be a difficult task. The present

investigation reports on the simple and robust attempt to fabricate nanocrystalline Mg2Si bulk compound from

mechanically milled nanostrutured Mg-Si powder mixture by self-propagating high temperature synthesis

(SHS) in spark plasma sintering (SPS). X ray diffraction and trasnsmission electron microscopy (TEM)

analysis confirms the phase formation and structural features of Mg2Si compound by SPS. Energy dispersive

X-ray absorption spectroscopy (EDAX) mapping reveals the homogenous distribution of elementals and an

estimated stochiometry. Differential thermal analysis (DTA) study confirms the lowering of recrystallization

and combustion temperature of milled Mg-Si powder mixture. It is understood that SPS temperature and

pressure plays a crucial role in the reaction and densification kinectics in Mg2Si formation of theoritical

density. The fabricated Mg2Si exhibits n type semiconducting behavior and superior power factor (thermo

power) of 11.160 W/cm-K2 at 300 °C.

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P132

Copper (II) based 1D – Coordination Polymer as Oxygen Reduction Catalyst

Yashwant Pratap Kharwar, AnjaiahSheelamand KothandaramanRamanujam*

Department of Chemistry, Indian Institute of Technology Madras, Chennai-600036, India

*e-mail:[email protected]

Platinum (Pt) based materials we commonly used as oxygen reduction reaction (ORR) catalysts1,2.

However, Pt based materials are scarce and expensive. Hence, it is imperative to find alternative low

cost non-precious metal catalysts3. In this work, we have synthesized copper (II) based 1D-

coordination polymer (CP) following a facile synthesis method reported in the literature4 with some

modification. The compound consisting two independent di-µ-hydroxido-bis(2,2'-

bipyridine)copper(II) dinuclear moities. This compound was adsorbed on Ketjen black carbon EC-

600JD and the ORR kinetics was studied using rotating disc electrode (RDE), rotating ring disc

electrode (RRDE), Tafel and Koutecky-Levich analysis. From the ring and disk currents of RRDE,

the number of electron transfer (n) and peroxide production (% H2O2) during ORR was studied. This

catalyst will be employed in fuel cell as cathode material.

Figure: Single crystal structure of copper (II) based 1D Co-ordination polymer

References:

(1) Antoine, O.; Bultel, Y.; Durand, R. J. Electroanal. Chem. 2001, 499 (1), 85–94.

(2) Sepa, D. B.; Vojnovic, M. V; Damjanovic, A. Electrochim. Acta 1981, 26 (6), 781–793.

(3) Jasinski, R. Nature 1964, 201 (4925), 1212–1213.

(4) Guo, H.-M.; Zhang, B.-S. Zeitschrift für Krist. Cryst. Struct. 2006, 221 (1–4), 507–508.

Cu

O

N

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P133

Optimization of Process Parameters of Thin Film Electrolyte for Micro Battery Applications

K. Yellareswara Rao1, G.Mohan Rao2

1Functional thin film laboratory, Vignan’s Institute of Information Technology, Visakhapatnam, India 530049

2Plasma processing laboratory, Dept. of Instrumentation and Applied physics, Indian Institute of Science, Bangalore,

India 560012


The most commercially viable electrolyte material for the all solid state batteries or thin film batteries (TFB)

fabrication is the Lithium Phosphorus Oxynitride (LiPON) glassy thin film [1]. This material was first reported

by Larson and Day [2] in the form of bulk glass materials. In 1993 research groups at ORNL deposited LiPON

thin films using Li3PO4 target by RF magnetron sputtering technique with ionic conductivity of the order of

3×10-6 S/cm and used as electrolyte for TFB fabrication [3, 4]. Nitrogen incorporation was found to enhance

the ionic conductivity to a value 10-6 S cm-1 at specified composition at room temperature as reported elsewhere

[5]. The present work investigates variation of ionic conductivity of Li-ions with thickness of LiPON thin film.

Moreover SEM, XPS characterizations were carried out. Ionic conductivity was measured by using AC

impedance technique. The results will be discussed.

References

[1].Tarascon, J. M.; Armand, M. Issues and challenges facing rechargeable lithium Batteries.

Nat. 2001, 414, 359-367.

[2]. Larson, R.W.; Day, D. E. Preparation and characterization of lithium phosphorus

oxynitride glass. J. Non-Crystal Solids. 1986, 88, 97-113.

[3]. Bates,J.B.; Dudney,N.J.; Gruzalski,G.R.; Zuhr,R.A.; Choudhury,A.; Luck,C.F.;

Robertson, J.D. Fabrication and characterization of amorphous lithium electrolyte

thin films and rechargeable thin-film batteries. J. Power Sources. 1993, 43, 103 -110.

[4]. Bates,J.B.; Dudney,N.J.; Neudecker,B.; Ueda,A.; Evans,C.D. Thin-film lithium and

Lithium-ion batteries. Solid State Ionics. 2000, 135, 33–45.

[5]. Nimisha, C.S.;Yellareswara Rao, K.;Venkatesh,G.; Munichandraiah, N.; Mohan Rao,G.;

Sputter deposited LiPON thin films from powder target as electrolyte for thin film

battery applications. Thin Solid Films. 2011, 519, 3401–3406.


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P134

An Extremely High Surface Area Mesoporous-Microporous-Networked Pillared Carbon for

High Stability Li-S and Intermediate Temperature Na-S Batteries

Dheeraj Kumar Singh and Eswaramoorthy M.

JNCASR, Bangalore


A high surface area porous carbon synthesized using a sacrificial-template assisted synthesis protocol, is

demonstrated here as a host for the confinement of sulfur for use in Li-S and intermediate temperature (25-70

°C) Na-S rechargeable batteries. The hierarchical porous pillared carbon host, comprising of an intricate

network of mesopores and micropores provide a landscape of sites with varying strength of interaction with

sulfur. Thus, the amount of sulfur (and associated polysulfides) inside the carbon host is predetermined by the

host structural characteristics rather than by the loading protocol. The mesoporous-microporous carbon led to

sulfur content in excess of 70%. While the bulk of S (and polysulfides) are stored inside the mesopores of the

carbon host, the micropore apart from sulfur storage strongly contributes towards the modulation of sulfur flux

during charge-discharge cycling. The S-C cathode exhibited remarkable cycling and rate capability with Li

and also against Na at intermediate temperature (25-70 °C). This result is a paradigm shift from the

conventional Na-S electrochemistry which is known to efficiently work only at elevated temperatures, in the

temperature range starting from excess of 100 °C to 300 °C.

P135

Structural and Magnetic Characterizations of Combustion Synthesized Ni/NiFe2O4@C

Nanocomposite

Mattath Athika and Perumal Elumulai*

Department of Green Energy Technology, Madanjeet School of Green Energy Technologies, Pondicherry University,

Puducherry-605014


In this work, a facile one step solution combustion method was employed to prepare the Nickel-Nickel ferrite

@ Carbon (Ni/NiFe2O4@C) nanocomposite using glycine as a fuel. The formation of metal ferrite carbon

phase was confirmed by X-ray diffraction (XRD) pattern, Raman and Fourier transform infrared (FT-IR)

spectroscopy analysis. The magnetic properties of the as-prepared nanocomposite was analyzed by VSM

technique at room temperature. The structural characterizations confirmed the formation of Ni/NiFe2O4@C

nanocomposite. The VSM data confirmed the presence of spin disorder due to super exchange interactions of

ferrite metal ions through oxygen with nickel metal. And the graphene nature of carbon matrix confirmed from

the Raman data by using ID/IG ratio.



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References

[1]. Liu, W. J., Tian, K., and Jiang, H., One-pot synthesis of Ni–NiFe2O4/carbon nanofiber composites from biomass

for selective hydrogenation of aromatic nitro compounds. Green Chem., 2015, 17, 821.

[2]. Sasanka, D., Joy, P. A., and Pratheep Kumar, A., Single Step Synthesis and Properties of M/MFe2O4 and

PVDF/M/MFe2O4 (M=Co, Ni) Magnetic Nanocomposites. Sci. Adv. Mater., 2009. 1, 262–268.

[3]. Ying, W., Qing, L., Tianjun, H., Limin, Z., Youquan, D. D., Carbon supported MnO2-CoFe2O4 with enhanced

electrocatalytic activity for oxygen reduction and oxygen evolution Appl. Surf. Sci., 2017. 1, 127.

[4]. Anju. A.,Sathe, V. G., Raman study of NiFe2O4 nano particles, bulk and films: effect of laser power. J.

Raman. Spectrosc., 2011. 42, 1087–109.

[5]. Sarah, B., Escamilla, W. B., Silva, P., Garcia, J., Del Castillo, H., Villarroel, M., Rodriguez, J.P., Ramos, M.A

Morales, R., Diaz, Y., NiFe2O4/activated carbon nanocomposite as magnetic material from petcoke. J. Magn.

Magn. Mater., 2014. 360, 67-72.

[6]. Kale, A., Gubbala, S., Misra, R.D.K., Magnetic behavior of nanocrystalline nickel ferrite synthesized by the

reverse micelle technique. J. Magn. Magn. Mater., 2004. 277, 350–358.

P136

Effect of molecular alignment on mobility in organic semiconductors: A case study of triindole

based DLC

Dr. Upendra Kumar Pandey

Interdisciplinary Centre for Energy Research (ICER), Indian Institute of Science, Bangalore 560012, India


The field of organic electronics has evolved impressively over the last two decades and the first device generation based

on organic semiconductors such as organic light-emitting diodes (OLEDs) already reached the market along with

realization of efficient prototypes of OFETs, solar cells, or sensors. Additionally organic materials can provide large area,

light weight and flexible devices due to their low cost low temperature processability over inorganic counterparts. The

major contribution advancing this field has been associated to the development of organic semiconductors exhibiting high

charge carrier mobility. Charge carrier mobility plays a key role in the optoelectronic performance of the device. Charge

mobility in organic semiconductors is highly dependent on the alignment of the molecules which indeed depends on the

processing method.

It was observed in our recent studies that the mobility for triphenylene-fused triindole mesogen based discotic liquid

crystal can vary up to three orders of magnitude depending on the alignment and technique used to measure mobility.

Hence, a proper balance between mobility and processability is required for improved performance of the devices based

on organic semiconductors.


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References:

1. Ruiz C.,et al, ACS Appl. Mater. Interfaces, 2016, 8 (40) 26964-26971.

2. García-Frutos, E.M., et al., Angew. Chem. Int. Ed., 2011, 50, 7399 –7402.

3. Organic Electronics: Materials, Manufacturing and Applications; Klauk, H., Ed.; Wiley-VCH: Weinheim, 2006.

http://www.scopus.com/authid/detail.url?origin=resultslist&authorId=6507399984&zone=

Organizing Institutes

Jawaharlal Nehru Centre for Advanced Scientific ResearchJakkur, Bangalore – 560 064http://www.jncasr.ac.in

Institute for Complex Adaptive MatterUniversity of California, DavisOne Shields Avenue, Davis – CA95616-5270http://icam-i2cam.org/

Hosted at

Jawaharlal Nehru Centre for Advanced Scientific ResearchJakkur, Bangalore – 560 064


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