Vanadium-doped small silicon clusters: Photoelectron spectroscopy and density-functional calculations
文献类型：期刊论文
| 作者 | Xu, Hong-Guang; Zhang, Zeng-Guang; Feng, Yuan; Yuan, Jinyun; Zhao, Yuchao; Zheng, Weijun |
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2010-03-05 |
| 卷号 | 487期号:4-6页码:204-208 |
| ISSN号 | 0009-2614 |
| DOI | 10.1016/j.cplett.2010.01.050 |
| 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 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/71109]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zheng, Weijun |
| 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 |
| 推荐引用方式 GB/T 7714 | 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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来源：化学研究所
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