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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:
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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-SystemsAdvisor: Prof. Abhaya K. Datye, Chemical Engineering and Co-Advisors Frank Abild-Pedersen and Felix Studt • 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. Major breakthroughs:Will be analyzing specific sites to determine metallic composition and activity towards methanol steam reforming PIRE Activities: Summer internship at DTU Attended CAMD Summer School 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. 1