Predicting PEMFC Pt Catalyst Durability using DFT

	Nanotech 2009 Vol. 3 Nanotechnology 2009: Biofuels, Renewable Energy, Coatings, Fluidics and Compact Modeling Chapter 7: Carbon Nano Structures
	Predicting PEMFC Pt Catalyst Durability using DFT
Authors:	M.N. Groves, A. Chan, C. Malardier-Jugroot, M. Jugroot
Affilation:	Royal Military College of Canada, CA
Pages:	465 - 468
Keywords:	PEMFC, Carbon Supported Catalyst
Abstract:	DFT calculations using B3LYP/Lanl2DZ on nitrogen doped graphene and single walled carbon nanotube structures are evaluated using Gaussian03 to measure the binding energy between its surface and a Pt atom. This is to characterize the durability of this type of support and improve the activity for a Pt catalyst in a proton exchange membrane fuel cell. We will discuss in detail the influence of the N-doping on the catalyst and on the surface  in term of binding energy and electronic distribution. The results indicate that the Pt absorbs more strongly to a carbon nanostructure which have a larger number and more densely packed nitrogen atoms imbedded into it.
ISBN:	978-1-4398-1784-1
Pages:	694
Hardcopy:	$179.95

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