The Lithium Battery Explorer Part 1 - Introduction to Lithium-ion Batteries
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THE LITHIUM BATTERY EXPLORER A Production
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Part 1 of the tutorial on the Lithium Battery Explorer provides an overview of Li-ion battery technology and the properties that are relevant to battery researchers. Interested viewers should refer to the following publications for more details: 1) Review: G. Ceder, G. Hautier, A. Jain, S. P. Ong. Recharging lithium battery research with first-principles methods. MRS Bulletin, 2011, 36, 185--191. 2) Computational Electrode Assessment: G. Hautier, A. Jain, S. P. Ong, B. Kang, C. Moore, R. Doe, and G. Ceder. Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations. Chemistry of Materials, 2011, 23(15), 3495-3508. 3) Predicting Battery Safety: S. P. Ong, A. Jain, G. Hautier, B. Kang, & G. Ceder. Thermal stabilities of delithiated olivine MPO4 (M=Fe, Mn) cathodes investigated using first principles calculations. Electrochemistry Communications, 2010, 12(3), 427--430.
Transcript of The Lithium Battery Explorer Part 1 - Introduction to Lithium-ion Batteries
THE LITHIUM BATTERY EXPLORER
A Production
What are Li-ion batteries?
¨ A type of rechargeable battery
¨ One of the most popular types for portable consumer electronics
¨ One of the highest energy densities
¨ Increasingly being considered for large scale applications such as hybrid electric vehicles
Cat
hode
Ano
de
How do lithium-ion batteries work?
Electrolyte
Cat
hode
Ano
de
Li Li+ e-
During charging
Electrolyte
Li
V
Cat
hode
Ano
de
Li Li+ e-
During discharge
Electrolyte
Li
What are the most relevant properties for a Li-ion battery electrode?
Cat
hode
Ano
de
Voltage
Voltage is a measure of the difference in free energy of Li between the anode and cathode.
V =µLianode −µLi
cathode
NFeElectrolyte stability ~ 5V
Cat
hode
Ano
de
Capacity
Capacity is a measure of how many Li you can pack in an electrode per unit weight or volume of material.
Li
Li
Li
Li
Li
Li
Li
Li
Li
Li
Li
Li
Electrolyte
Other properties of interest
Energy density and Specific
energy
How much energy is in the material per unit volume /
weight?
Given by voltage x capacity.
Volume change upon delithiation
Large volume changes may lead
to structural instability.
Stability
Unstable materials may be difficult or
impossible to synthesize
Critical oxygen chemical potential
Correlated with safety of a material.
Cathodes that evolve oxygen at
high oxygen chemical potentials
are potentially unsafe.
Types of Electrodes
Intercalation electrodes
Most common
Electrode is essentially a host structure that can contain Li
Examples: LiCoO2, LiFePO4, graphite
Conversion electrodes
Less common
Electrode undergoes a chemical reaction where its structure is created
and destroyed during operation
Examples: FeF3, Li2O2
• Information about existing materials • Discover new materials
Customized search tool for Li-ion electrode materials
• Voltage • Capacity • Energy density • Specific energy • and many others …
Search using relevant battery properties
• Voltage profile • Safety (O2 evolution) • Li+ diffusivity using empirical bond valence potentials
Display information useful to battery researchers
What is the Lithium Battery Explorer?
Review G. Ceder, G. Hautier, A. Jain, S. P. Ong. Recharging lithium battery research with first-principles methods. MRS Bulletin, 2011, 36, 185–191.
Computational Electrode Assessment
G. Hautier, A. Jain, S. P. Ong, B. Kang, C. Moore, R. Doe, and G. Ceder. Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations. Chemistry of Materials, 2011, 23(15), 3495-3508.
Predicting Battery Safety
S. P. Ong, A. Jain, G. Hautier, B. Kang, & G. Ceder. Thermal stabilities of delithiated olivine MPO4 (M=Fe, Mn) cathodes investigated using first principles calculations. Electrochemistry Communications, 2010, 12(3), 427–430.
Credits Video by Shyue Ping Ong
References
