Diffusions of small clusters on Pt(1 1 1) and Cu(1 1 1) surfaces

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• 作者：Jianxing Jiang ; Peng Zhang ; Yiqun Xie ; Xijing Ning ; Min Zhuang ; Yufen Li ; Jun Zhuang
• 关键词：Surface diffusion ; Clusters ; Metallic surfaces ; Molecular dynamics
• 刊名：Applied Surface Science
• 出版年：2008
• 出版时间：15 July 2008
• 年：2008
• 卷：254
• 期：18
• 页码：5822-5826
• 全文大小：756 K

文摘

Diffusions of small cluster Pt₆ on Pt(1 1 1) surface and Cu₆ on Cu(1 1 1) are studied by molecular dynamics simulation, respectively. The atomic interaction is modeled by the semiempirical potential. The results show that the diffusion processes in the two systems are far different. For example, on Pt(1 1 1) surface, the hopping of single atom and the shearing of two atoms of hexamer only occur on the adatom(s) adsorbed at B-step, while on Cu(1 1 1) surface they can appear on the adatom(s) either at A-step or B-step. To the concerted translation of the parallelogram hexamer, the anisotropy in the diffusion path is observed in the two systems, the mechanisms and then the preferential paths, however, are completely different. The reasons for these diffusion characteristics and differences are discussed.