Major breakthroughs: Will be analyzing specific sites to determine
1
1 Effect of Zn on the Binding Energy of CO on Pd Patrick D. Burton, Graduate Student in Nano-Science and Micro-Systems Advisor: Prof. Abhaya K. Datye, Chemical Engineering and Co-Advisors Frank Abild- Pedersen and Felix Studt Major breakthroughs: Will be analyzing specific sites to determi metallic composition and activity towards methanol steam reforming PIRE Activities: 1.Summer internship at DTU 2.Attended CAMD Summer School Technical accomplishments: • Investigated the stability of Pd/Zn surface structures with the GPAW electronic structure code. •Determined CO binding energy at increasing distances from a Zn dopant in a Pd surface. •Provided intermediary assistance to technical staff for the installation of GPAW on UNM's own system. Pd 63 repeating cell with 1 Zn dopant and CO (red sphere) bound in in an fcc site. Pd/Zn surfaces with in-lattice and atop Zn dopants in symmetric (top) and asymmetric (bottom) positions.
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Effect of Zn on the Binding Energy of CO on Pd Patrick D. Burton, Graduate Student in Nano-Science and Micro-Systems Advisor: Prof. Abhaya K. Datye, Chemical Engineering and Co-Advisors Frank Abild-Pedersen and Felix Studt. Technical accomplishments: - PowerPoint PPT Presentation
Transcript of Major breakthroughs: Will be analyzing specific sites to determine
1
Effect of Zn on the Binding Energy of CO on Pd Patrick D. Burton, Graduate Student in Nano-Science and Micro-SystemsAdvisor: Prof. Abhaya K. Datye, Chemical Engineering and Co-Advisors Frank Abild-Pedersen and Felix Studt
Major breakthroughs: Will be analyzing specific sites to determine
metallic composition and activity towards methanol steam reforming
PIRE Activities: 1. Summer internship at DTU2. Attended CAMD Summer School
Technical accomplishments: • Investigated the stability of Pd/Zn surface structures with the GPAW electronic structure code.•Determined CO binding energy at increasing distances from a Zn dopant in a Pd surface.•Provided intermediary assistance to technical staff for the installation of GPAW on UNM's own system.
Pd63
repeating cell with 1 Zn
dopant and CO (red sphere) bound in in an fcc site.
Pd/Zn surfaces with in-lattice and atop Zn dopants in symmetric (top) and asymmetric (bottom) positions.
