Electronic structures of Pt clusters adsorbed on (5,5) single wall carbon nanotube

被引：70

作者：

Chi, Dam Hieu

Cuong, Nguyen Thanh

Tuan, Nguyen Anh

Kim, Yong-Tae

Bao, Ho Tu

Mitani, Tadaoki

Ozaki, Taisuke

Nagao, Hidemi

机构：

[1] Japan Adv Inst Sci & Technol, Sch Mat Sci, Ishikawa 9231292, Japan

[2] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058568, Japan

[3] Kanazawa Univ, Grad Sch Nat Sci & Technol, Kanazawa, Ishikawa 9201192, Japan

[4] Hanoi Univ Sci, Fac Phys, Hanoi, Vietnam

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 432卷 / 1-3期

关键词：

NANOCLUSTERS; MOLECULES; PLATINUM;

D O I：

10.1016/j.cplett.2006.10.063

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：213 / 217

页数：5

共 18 条

[1] Density-functional calculations on platinum nanoclusters:: Pt13, Pt38, and Pt55 [J].