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题名: Photoelectron spectroscopy and density-functional study of Sc2Sin- (n=2-6) clusters
作者: Xu, Hong-Guang1;  Zhang, Zeng-Guang1;  Feng, Yuan1;  Zheng, Weijun1
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2010-09-30
DOI: 10.1016/j.cplett.2010.08.027
卷: 498, 期:1-3, 页:22-26
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: We conducted a photoelectron spectroscopy and density-functional study on Sc2Sin (n = 2-6) clusters. The adiabatic detachment energies of Sc2Si2-6 were estimated to be 1.42 +/- 0.08, 1.37 +/- 0.08, 1.33 +/- 0.08, 1.9 +/- 0.2, and 2.0 +/- 0.2 eV respectively from their photoelectron spectra. Comparison of theoretical and experimental results indicates that each of these clusters has more than one isomer in the experiments. In the most stable structures of Sc2Si3-6 clusters, the silicon atoms form an n-membered silicon ring, and the two Sc atoms cap to the opposite sides of the ring. The Sc-Sc interaction in Sc2Sin clusters is very weak comparing to the strong V-V interaction in V2Sin clusters. (C) 2010 Elsevier B.V. All rights reserved.
关键词[WOS]: ELECTRONIC-PROPERTIES ;  SILICON CLUSTERS ;  SELECTIVE FORMATION ;  CAGE CLUSTERS ;  SI ;  METAL ;  ATOMS ;  STABILITIES ;  GEOMETRIES ;  NANOTUBES
语种: 英语
WOS记录号: WOS:000282161800005
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/141670
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, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China

Recommended Citation:
Xu, Hong-Guang,Zhang, Zeng-Guang,Feng, Yuan,et al. Photoelectron spectroscopy and density-functional study of Sc2Sin- (n=2-6) clusters[J]. CHEMICAL PHYSICS LETTERS,2010,498(1-3):22-26.
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