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Title:
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Electronic structures of Pt clusters adsorbed on (5, 5) single wall carbon nanotube |
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Author:
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D.H., Chi; N.T., Cuong; N.A., Tuan; Kim, Y.T.; H.T., Bao; Mitani, T.; Ozaki, T.; Nagao, H.
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Abstract:
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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. |
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URI:
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http://tainguyenso.vnu.edu.vn/jspui/handle/123456789/7217
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Date:
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2006 |