期刊
JOURNAL OF CHEMICAL PHYSICS
卷 132, 期 10, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3324961
关键词
atomic clusters; density functional theory; gold; metal clusters; molecular configurations; nanostructured materials
资金
- National Science Foundation of China
- Shanghai Municipality
- MoE
It is well known that gold cluster can have planar or hollow cagelike structure due to the relativistic effect. In this study, by first principles calculation on the Au-58 cluster, we propose that gold cluster of medium size can form a shell-like structure, which is demonstrated by the remarkable robustness of a double shell structure with a hollow inner shell of ten atoms.
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