Theoretically Relating the Surface Composition of Pt Alloys to Their Perf o rmance as the Electrocatalysts of Low - Temperature Fuel Cells
نویسندگان
چکیده
The project was launched on September 15, 2009. Over the grant period, we have accomplished all the research objectives proposed in the proposal. Specifically, we have developed and performed Monte Carlo (MC) simulations predicting the surface composition of a series of Pt binary and ternary alloy catalysts, carried out first-principles transition state calculations of the ORR on Pt and Pt alloy surfaces, developed and performed kinetic Monte Carlo (KMC) simulations predicting the activity for the ORR on Pt surfaces, and derived the relation between surface composition and catalytic activity for the ORR on Pt alloys. As a result of our study, ten research articles supported by this grant have been published in peer-reviewed journals.
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