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Photoelectron spectroscopy and density-functional study of Sc2Sin- (n=2-6) clusters
Xu, Hong-Guang; Zhang, Zeng-Guang; Feng, Yuan; Zheng, Weijun
Source PublicationCHEMICAL PHYSICS LETTERS
2010-09-30
DOI10.1016/j.cplett.2010.08.027
Volume498Issue:1-3Pages:22-26
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordELECTRONIC-PROPERTIES ; SILICON CLUSTERS ; SELECTIVE FORMATION ; CAGE CLUSTERS ; SI ; METAL ; ATOMS ; STABILITIES ; GEOMETRIES ; NANOTUBES
AbstractWe 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.
Language英语
WOS IDWOS:000282161800005
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/141670
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
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.
APA Xu, Hong-Guang,Zhang, Zeng-Guang,Feng, Yuan,&Zheng, Weijun.(2010).Photoelectron spectroscopy and density-functional study of Sc2Sin- (n=2-6) clusters.CHEMICAL PHYSICS LETTERS,498(1-3),22-26.
MLA Xu, Hong-Guang,et al."Photoelectron spectroscopy and density-functional study of Sc2Sin- (n=2-6) clusters".CHEMICAL PHYSICS LETTERS 498.1-3(2010):22-26.
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