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Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations
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
2011-04-01
DOI10.1088/1674-1056/20/4/043102
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
关键词[WOS]SMALL SILICON CLUSTERS ; ELECTRONIC-STRUCTURES ; METALLOFULLERENE ; STABILITIES
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.
语种英语
WOS记录号WOS:000289941500035
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被引频次:17[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/142616
专题中国科学院大连化学物理研究所
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
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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).
APA Xu Hong-Guang,Wu Miao-Miao,Zhang Zeng-Guang,Sun Qiang,&Zheng Wei-Jun.(2011).Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations.CHINESE PHYSICS B,20(4).
MLA Xu Hong-Guang,et al."Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations".CHINESE PHYSICS B 20.4(2011).
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