中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Photoelectron spectroscopy and density functional theory study of Bi2Aln- (n=1-4) clusters
作者: Sun, Zhang1;  Xu, Hong-Guang2;  Feng, Gang2;  Xu, Xi-Ling2;  Zheng, Wei-Jun2
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2014-11-05
DOI: 10.1016/j.cplett.2014.09.049
卷: 615, 页:56-61
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: The Bi2Aln- (n = 1-4) clusters were investigated by anion photoelectron spectroscopy and density functional theory calculations. By photoelectron spectroscopy the vertical detachment energies of Bi2Aln- (n = 1-4) 1-4) were determined to be 2.12 +/- 0.08, 2.32 +/- 0.08, 2.66 +/- 0.08, and 2.15 +/- 0.08 eV, respectively. The structures of Bi2Aln- (n = 1-4) were determined by comparison of photoelectron experiments and calculations. It is found that Bi2Aln- (n = 1-4) anions all have a Bi-2 unit inside their structures, in which the Bi-Bi bond lengths are in the range of 2.81-3.08 angstrom. The natural population analysis shows that the negative charges mainly localized on the Bi2 unit inside the most probable structures. (C) 2014 Elsevier BAT. All rights reserved.
关键词[WOS]: ELECTRONIC-STATE ;  1ST PRINCIPLES ;  V CLUSTER ;  STABILITY ;  ANIONS ;  BI ;  PARAMETERS ;  ENERGIES ;  EXCHANGE ;  ELEMENTS
语种: 英语
WOS记录号: WOS:000344747400011
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145645
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Hebei United Univ, Coll Chem Engn, Tangshan 063009, Peoples R China
2.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China

Recommended Citation:
Sun, Zhang,Xu, Hong-Guang,Feng, Gang,et al. Photoelectron spectroscopy and density functional theory study of Bi2Aln- (n=1-4) clusters[J]. CHEMICAL PHYSICS LETTERS,2014,615:56-61.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Sun, Zhang]'s Articles
 [Xu, Hong-Guang]'s Articles
 [Feng, Gang]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Sun, Zhang]‘s Articles
 [Xu, Hong-Guang]‘s Articles
 [Feng, Gang]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace