ICCAS OpenIR  > 分子动态与稳态结构实验室
Planar B-38(-) and B-37(-) clusters with a double-hexagonal vacancy: molecular motifs for borophenes
Chen, Qiang1,3,4; Tian, Wen-Juan2; Feng, Lin-Yan1; Lu, Hai-Gang1; Mu, Yue-Wen1; Zhai, Hua-Jin1; Li, Si-Dian1; Wang, Lai-Sheng2
2017-04-07
Source PublicationNANOSCALE
Volume9Issue:13Pages:4550-4557
AbstractBoron clusters have been found to exhibit a variety of interesting electronic, structural, and bonding properties. Of particular interest are the recent discoveries of the 2D hexagonal B-36(-/0) which led to the concept of borophenes and the 3D fullerene-like B-40(-/0) which marked the onset of borospherene chemistry. Here, we present a joint photoelectron spectroscopic and first-principles study of B-37(-) and B-38(-), which are in the transition size range between the 2D borophene-type clusters and the 3D borospherenes. These two clusters are found to possess highly stable 2D global-minimum structures consisting of a double-hexagonal vacancy. Detailed bonding analyses reveal that both B-37(-) and B-38(-) are allboron analogues of coronene (C24H12) with a unique delocalized pi system, featuring dual pi aromaticity. These clusters with double hexagonal vacancies can be viewed as molecular motifs for the x(3)-borophene which is the most stable form of borophenes recently synthesized on an Ag(111) substrate.
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/38093
Collection分子动态与稳态结构实验室
Affiliation1.Shanxi Univ, Inst Mol Sci, Nanocluster Lab, Taiyuan 030006, Peoples R China
2.Brown Univ, Dept Chem, Providence, RI 02912 USA
3.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China
4.Xinzhou Teachers Univ, Inst Mat Sci, Xinzhou 034000, Peoples R China
Recommended Citation
GB/T 7714
Chen, Qiang,Tian, Wen-Juan,Feng, Lin-Yan,et al. Planar B-38(-) and B-37(-) clusters with a double-hexagonal vacancy: molecular motifs for borophenes[J]. NANOSCALE,2017,9(13):4550-4557.
APA Chen, Qiang.,Tian, Wen-Juan.,Feng, Lin-Yan.,Lu, Hai-Gang.,Mu, Yue-Wen.,...&Wang, Lai-Sheng.(2017).Planar B-38(-) and B-37(-) clusters with a double-hexagonal vacancy: molecular motifs for borophenes.NANOSCALE,9(13),4550-4557.
MLA Chen, Qiang,et al."Planar B-38(-) and B-37(-) clusters with a double-hexagonal vacancy: molecular motifs for borophenes".NANOSCALE 9.13(2017):4550-4557.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Chen, Qiang]'s Articles
[Tian, Wen-Juan]'s Articles
[Feng, Lin-Yan]'s Articles
Baidu academic
Similar articles in Baidu academic
[Chen, Qiang]'s Articles
[Tian, Wen-Juan]'s Articles
[Feng, Lin-Yan]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Chen, Qiang]'s Articles
[Tian, Wen-Juan]'s Articles
[Feng, Lin-Yan]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

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