期刊论文、会议论文

Yang JianYu

英文

中国科学：物理学、力学、天文学英文版

1674-7348

2011

54

5

846-850

11th International Conference in Asia of the International-Union-of-Materials-Research-Societies

SEP 25-28, 2010

Qingdao, PEOPLES R CHINA

[Yang JianYu] Hunan Inst Engn, Dept Math & Phys, Xiangtan 411104, Peoples R China.^[Hu WangYu] Hunan Univ, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China.^[Tang JianFeng] Hunan Agr Univ, Dept Appl Phys, Changsha 410128, Hunan, Peoples R China.

Int Union Mat Res Soc (IUMRS), Chinese Mat Res Soc, Mat Res Soc Taiwan, Mat Res Soc Japan, Govt Qingdao City

16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA

SCIENCE PRESS

10.1007/s11433-011-4304-2

supported by the National Natural Science Foundation of China (Grant No. 50971058) the Hunan Provincial Natural Science Foundation of China (Grant No. 10JJ3050)

本校为其他机构

The surface diffusion of Pt dimers on Wulff polyhedral clusters with 586-12934 atoms was studied by the embedded atom method. The minimum energy diffusion path and the corresponding energy barrier for dimer diffusion on cluster surfaces were determined through a combination of the quenched Molecular Dynamics and the Nudged Elastic Band method. It was found that the diffusion of a dimer across the step-edge by dissociation and consecutive single-atom exchange with the edge atoms, rather than diffusion over the edge as a unit. Therefore, the step can enhance the dissociation of the dimer. For sm...