Adsorption Binding energy Carbon nanotubes Catalysis Charge transfer Electronic structure Catalytic activities Graphene
Issue Date:
2006
Publisher:
Chemical Physics Letters
Citation:
Volume: 432, Issue: 3-Jan, Page : 213-217
Abstract:
We present a DFT study for the adsorption of single Pt atom and Pt clusters on graphene surface
and carbon nanotube. Adsorption of a Pt atom shows a heavy dependence of binding energy on the graphene
curvature. The adsorbed Pt atoms tend to form clusters, than to disperse on the graphene surface. The Pt-Pt
bond length and the charge transfer from Pt clusters to the nanotube vary as a function of cluster size. A
simulation of oxygen adsorption suggests higher performance for catalytic activities of Pt clusters adsorbed
on the nanotube, in comparison with free Pt clusters. ?? 2006 Elsevier B.V. All rights reserved.
