NSTI Nanotech 2009

Predicting PEMFC Pt Catalyst Durability using DFT

M.N. Groves, A. Chan, C. Malardier-Jugroot, M. Jugroot
Royal Military College of Canada, CA

Keywords: PEMFC, Carbon Supported Catalyst


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.
Program | Tracks | Symposia | Workshops | Exhibitor | Press |
Venue | News | Subscribe | Contact | Site Map
© Copyright 2008 Nano Science and Technology Institute. All Rights Reserved.