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.

Chi D.H., Cuong N.T., Tuan N.A., Kim Y.-T., Bao H.T., Mitani T., Ozaki T., Nagao H.

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Từ khóa : Adsorption; Binding energy; Carbon nanotubes; Catalysis; Charge transfer; Electronic structure; Catalytic activities; Graphene; Graphene surface; Single wall carbon nanotube; Platinum