P-Tu-34 A First Principles Study of Ammonia Electro-Oxidation for Fuel Cell Applications

Tuesday, June 7, 2011
Ontario Exhibit Hall (Detroit Marriott Hotel at the Renaissance Center )
Jeffrey A. Herron1, Peter Ferrin1 and Manos Mavrikakis2, (1)Chemical & Biological Engineering, University of Wisconsin-Madison, Madison, WI, (2)Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, WI
Here we present a first principles, density functional theory (DFT) analysis of  the electrochemical oxidation of NH3 on a number of metal surfaces, using a simple electrochemical model.  We use the results of our calculations to characterize different reaction pathways, and determine optimal binding characteristics for a good electrocatalyst.

Extended Abstracts:

See more of: Tuesday Poster Session: Energy & Fuels
See more of: Catalysis, Materials, and Reaction Engineering for Fuel Production/Utilization
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