Investigation of ScmOn- (m=2-5, n=2-3) clusters using photoelectron spectroscopy and density functional calculations

doi:10.1016/j.cplett.2013.01.068

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	Investigation of ScmOn- (m=2-5, n=2-3) clusters using photoelectron spectroscopy and density functional calculations
	Yuan, Jinyun 1,2; Xu, Hong-Guang 1; Kong, Xiangyu 1; Zheng, Weijun 1
刊名	CHEMICAL PHYSICS LETTERS
	2013-03-28
卷号	564 页码:6-10
ISSN号	0009-2614
DOI	10.1016/j.cplett.2013.01.068
英文摘要	The ScmOn- (m = 2-5, n = 2-3) cluster anions were investigated using photoelectron spectroscopy and density functional theory (DFT) calculations. The adiabatic detachment energies (ADEs) and vertical detachment energies (VDEs) of these cluster anions were estimated from their photoelectron spectra. The most probable structures of ScmOn (m = 2-5, n = 2-3) cluster anions and neutrals were determined by combining DFT calculations with the photoelectron spectroscopy experiments. The structures of ScmOn- (m = 2-5, n = 2-3) can be characterized as attaching oxygen atoms to the top sites, bridge sites, or hollow sites of Scm clusters. There is no direct interaction between the oxygen atoms. (C) 2013 Elsevier B.V. All rights reserved.
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000316793900002
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/53913]
专题	中国科学院化学研究所
通讯作者	Zheng, Weijun
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 2.Huanghe Sci & Technol Coll, Inst Nanostruct Funct Mat, Zhengzhou 450006, Henan, Peoples R China
推荐引用方式 GB/T 7714	Yuan, Jinyun,Xu, Hong-Guang,Kong, Xiangyu,et al. Investigation of ScmOn- (m=2-5, n=2-3) clusters using photoelectron spectroscopy and density functional calculations[J]. CHEMICAL PHYSICS LETTERS,2013,564:6-10.
APA	Yuan, Jinyun,Xu, Hong-Guang,Kong, Xiangyu,&Zheng, Weijun.(2013).Investigation of ScmOn- (m=2-5, n=2-3) clusters using photoelectron spectroscopy and density functional calculations.CHEMICAL PHYSICS LETTERS,564,6-10.
MLA	Yuan, Jinyun,et al."Investigation of ScmOn- (m=2-5, n=2-3) clusters using photoelectron spectroscopy and density functional calculations".CHEMICAL PHYSICS LETTERS 564(2013):6-10.