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Vanadium-doped small silicon clusters: Photoelectron spectroscopy and density-functional calculations
Xu, Hong-Guang; Zhang, Zeng-Guang; Feng, Yuan; Yuan, Jinyun; Zhao, Yuchao; Zheng, Weijun
刊名CHEMICAL PHYSICS LETTERS
2010-03-05
DOI10.1016/j.cplett.2010.01.050
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
关键词[WOS]ELECTRONIC-PROPERTIES ; CAGE CLUSTERS ; ION-TRAP ; METAL ; SI ; STABILITIES ; GEOMETRIES ; GROWTH ; ATOMS
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.
语种英语
WOS记录号WOS:000274587900009
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/142237
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China
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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.
APA Xu, Hong-Guang,Zhang, Zeng-Guang,Feng, Yuan,Yuan, Jinyun,Zhao, Yuchao,&Zheng, Weijun.(2010).Vanadium-doped small silicon clusters: Photoelectron spectroscopy and density-functional calculations.CHEMICAL PHYSICS LETTERS,487(4-6),204-208.
MLA Xu, Hong-Guang,et al."Vanadium-doped small silicon clusters: Photoelectron spectroscopy and density-functional calculations".CHEMICAL PHYSICS LETTERS 487.4-6(2010):204-208.
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