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题名: Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations
作者: Xu Hong-Guang3;  Wu Miao-Miao1, 2;  Zhang Zeng-Guang3;  Sun Qiang1, 2;  Zheng Wei-Jun3
关键词: photoelectron ;  density functional theory ;  metal-doped silicon clusters
刊名: CHINESE PHYSICS B
发表日期: 2011-04-01
DOI: 10.1088/1674-1056/20/4/043102
卷: 20, 期:4
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Multidisciplinary
研究领域[WOS]: Physics
英文摘要: Anion ion photoelectron spectroscopy and density functional theory (DFT) are used to investigate the electronic and structural properties of ScSin- (n = 2 similar to 6) clusters and their neutrals. We find that the structures of ScSin- are similar to those of Si-n+1(-). The most stable isomers of ScSin- cluster anions and their neutrals are similar for n=2, 3 and 5 but different for n=4 and 6, indicating that the charge effect on geometry is size dependent for small scandium-silicon clusters. The low electron binding energy (EBE) tails observed in the spectra of ScSi4,6- can be explained by the existence of less stable isomers. A comparison between ScSin- and VSin- clusters shows the effects of metal size and electron configuration on cluster geometries.
关键词[WOS]: SMALL SILICON CLUSTERS ;  ELECTRONIC-STRUCTURES ;  METALLOFULLERENE ;  STABILITIES
语种: 英语
WOS记录号: WOS:000289941500035
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142616
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Peking Univ, Dept Adv Mat & Nanotechnol, Beijing 100871, Peoples R China
2.Peking Univ, Ctr Appl Phys & Technol, Beijing 100871, Peoples R China
3.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China

Recommended Citation:
Xu Hong-Guang,Wu Miao-Miao,Zhang Zeng-Guang,et al. Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations[J]. CHINESE PHYSICS B,2011,20(4).
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