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题名: Vanadium-doped small silicon clusters: Photoelectron spectroscopy and density-functional calculations
作者: Xu, Hong-Guang1;  Zhang, Zeng-Guang1;  Feng, Yuan1;  Yuan, Jinyun1;  Zhao, Yuchao1;  Zheng, Weijun1
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2010-03-05
DOI: 10.1016/j.cplett.2010.01.050
卷: 487, 期:4-6, 页:204-208
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: Vanadium-doped small silicon clusters, VSi(n)(-) and V(2)Si(n)(-) (n = 3-6), have been studied by anion photoelectron spectroscopy. The vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) of these clusters were obtained from their photoelectron spectra. We have also conducted density-functional calculations of VSi(n)(-) and V(2)Si(n)(-) clusters and determined their structures by comparison of theoretical calculations with experimental results. Our results show that two V atoms in V(2)Si(n)(-) clusters tend to form a strong V-V bond. V(2)Si(6)(-) has D(3d) symmetry with the six Si atoms forming a chair like six-membered ring similar to the ring in cyclohexane and the two vanadium atoms are joined with a delta bond. (C) 2010 Elsevier B.V. All rights reserved.
关键词[WOS]: ELECTRONIC-PROPERTIES ;  CAGE CLUSTERS ;  ION-TRAP ;  METAL ;  SI ;  STABILITIES ;  GEOMETRIES ;  GROWTH ;  ATOMS
语种: 英语
WOS记录号: WOS:000274587900009
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142237
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.Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China

Recommended Citation:
Xu, Hong-Guang,Zhang, Zeng-Guang,Feng, Yuan,et al. Vanadium-doped small silicon clusters: Photoelectron spectroscopy and density-functional calculations[J]. CHEMICAL PHYSICS LETTERS,2010,487(4-6):204-208.
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