期刊
JOURNAL OF CHEMICAL PHYSICS
卷 138, 期 24, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4811659
关键词
-
资金
- Knowledge Innovation Program of the Chinese Academy of Sciences [KJCX2-EW-H01]
- Natural Science Foundation of China (NSFC) [21103202]
We investigated the structural evolution and electronic properties of AgSin-(n = 3-12) clusters using anion photoelectron spectroscopy and density functional theory calculations. The vertical detachment energies and adiabatic detachment energies of AgSin- (n = 3-12) clusters were estimated from their photoelectron spectra. The structures of the AgSin- (n = 3-12) clusters were tentatively assigned based on the comparison of theoretical calculations and experimental measurements. The studies show that the structures of AgSin- (n = 3-12) clusters are dominated by exohedral structures with the Ag atom occupying the low coordinated sites. No endohedral structure has been found for AgSin- clusters with n <= 12. (C) 2013 AIP Publishing LLC.
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