Structural and bonding properties of ScSin- (n=2 similar to 6) clusters:   photoelectron spectroscopy and density functional calculations

doi:10.1088/1674-1056/20/4/043102

CORC > 北京大学 > 工学院

	Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations
	Xu Hong-Guang ; Wu Miao-Miao ; Zhang Zeng-Guang ; Sun Qiang ; Zheng Wei-Jun
刊名	chinese physics b
	2011
关键词	photoelectron density functional theory metal-doped silicon clusters SMALL SILICON CLUSTERS ELECTRONIC-STRUCTURES METALLOFULLERENE STABILITIES
DOI	10.1088/1674-1056/20/4/043102
英文摘要	Anion ion photoelectron spectroscopy and density functional theory (DFT) are used to investigate the electronic and structural properties of ScSin- (n = 2 similar to 6) clusters and their neutrals. We find that the structures of ScSin- are similar to those of Si-n+1(-). The most stable isomers of ScSin- cluster anions and their neutrals are similar for n=2, 3 and 5 but different for n=4 and 6, indicating that the charge effect on geometry is size dependent for small scandium-silicon clusters. The low electron binding energy (EBE) tails observed in the spectra of ScSi4,6- can be explained by the existence of less stable isomers. A comparison between ScSin- and VSin- clusters shows the effects of metal size and electron configuration on cluster geometries.; Physics, Multidisciplinary; SCI(E); EI; 中国科技核心期刊(ISTIC); 9; ARTICLE; 4; 20
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/394764]
专题	工学院
推荐引用方式 GB/T 7714	Xu Hong-Guang,Wu Miao-Miao,Zhang Zeng-Guang,et al. Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations[J]. chinese physics b,2011.
APA	Xu Hong-Guang,Wu Miao-Miao,Zhang Zeng-Guang,Sun Qiang,&Zheng Wei-Jun.(2011).Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations.chinese physics b.
MLA	Xu Hong-Guang,et al."Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations".chinese physics b (2011).