Effects of Supports on Hydrogen Adsorption on Pt Clusters |
| Journal |
Solid State Phenomena (Volume 139) |
| Volume |
Theory, Modeling and Numerical Simulation |
| Edited by |
Veena Tikare, Graeme E. Murch, Frédéric Soisson and Jeung Ku Kang |
| Pages |
41-46 |
| DOI |
10.4028/www.scientific.net/SSP.139.41 |
| Online since |
April, 2008 |
| Authors |
K. Okazaki-Maeda,
Y. Morikawa,
Shingo Tanaka,
Masanori Kohyama
|
| Keywords |
Adsorption, Fuel Cell, Graphene, Hydrogen, Platinum, Pseudopotential Method |
| Abstract |
Pt nano-particles are supported on carbon materials at the electrode catalysts of protonexchange
menbrane fuel cells. Pt nano-particles are desirable to be strongly adsorbed on carbon
materials for high dispersion, although strong Pt-C interactions may affect the catalytic activity of
small clusters. Thus we have examined H-atom absorption on Pt clusters supported or unsupported
on graphene sheets, using first-principles calculations. For Pt-atom/graphene systems, a H atom is
more weakly adsorbed than for a free Pt atom, and the H-Pt interaction becomes weaker if the
interaction between a Pt atom and graphene becomes stronger. For the Ptn-cluster/graphene systems
(n=2-4), the H-Pt interactions are also substantially changed from those for free Pt clusters. In the Pt
clusters on graphene, the Pt-Pt distances are substantially changed associated with the electronicstructure
changes by the Pt-C interactions. These structural and electronic changes in the Pt clusters
as well as the presence of graphene itself seem to cause the changes in the absorption energies and
preferential sites of H-atom absorption. |
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