Planar B-38(-) and B-37(-) clusters with a double-hexagonal vacancy: molecular motifs for borophenes
文献类型：期刊论文
| 作者 | 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 |
| 刊名 | NANOSCALE
 |
| 出版日期 | 2017-04-07 |
| 卷号 | 9期号:13页码:4550-4557 |
| 英文摘要 | Boron 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. |
| 语种 | 英语 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/38093]  |
| 专题 | 化学研究所_分子动态与稳态结构实验室 |
| 作者单位 | 1.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 |
| 推荐引用方式 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. |
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来源：化学研究所
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