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Surface self-diffusion of a Pt adatom on cuboctahedral and truncated decahedral clusters, size dependence

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成果类型:
期刊论文
作者:
Yang, J. Y.*;Hu, W. Y.;Tang, J. F.
通讯作者:
Yang, J. Y.
作者机构:
[Yang, J. Y.] Hunan Inst Engn, Dept Math & Phys, Xiangtan 411104, Peoples R China.
[Hu, W. Y.] Hunan Univ, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China.
[Tang, J. F.] Hunan Agr Univ, Dept Appl Phys, Changsha 410028, Hunan, Peoples R China.
通讯机构:
[Yang, J. Y.] H
Hunan Inst Engn, Dept Math & Phys, Xiangtan 411104, Peoples R China.
语种:
英文
关键词:
The European Physical Journal B;Condensed Matter;Complex Systems;journal;EPJ
期刊:
EUROPEAN PHYSICAL JOURNAL B
ISSN:
1434-6028
年:
2010
卷:
78
期:
3
页码:
315-321
基金类别:
National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [50971058]; Scientific Research Fund of Hunan Provincial Education [08B016]
机构署名:
本校为其他机构
院系归属:
理学院
摘要:
The self-diffusion of single Pt adatom on the surface of cuboctahedral and truncated decahedral clusters with 561-10179 atoms are studied within the context of the many-body potentials obtained via the embedded atom method. The minimum energy diffusion path and the corresponding energy barrier for adatom diffusion on the cuboctahedral and truncated decahedral clusters surfaces are determined through a combination of the quenched molecular dynamics and the nudged elastic band method. The calculated energy barriers are consistent with the availab...

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