Deciphering the mystery of hexagon holes in an all-boron graphene α-sheet

被引：137

作者：

Galeev, Timur R. ^{[2
]}

Chen, Qiang ^{[1
,3
,4
]}

Guo, Jin-Chang ^{[1
,3
,4
]}

Bai, Hui ^{[1
,3
,4
]}

Miao, Chang-Qing ^{[1
,3
,4
]}

Lu, Hai-Gang ^{[1
,3
,4
]}

Sergeeva, Alina P. ^{[2
]}

Li, Si-Dian ^{[1
,3
,4
]}

Boldyrev, Alexander I. ^{[2
]}

机构：

[1] Shanxi Univ, Inst Mol Sci, Taiyuan 030006, Peoples R China

[2] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA

[3] Xinzhou Teachers Univ, Inst Mat Sci, Xinzhou 034000, Peoples R China

[4] Xinzhou Teachers Univ, Dept Chem, Xinzhou 034000, Shanxi, Peoples R China

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2011年 / 13卷 / 24期

基金：

美国国家科学基金会;

关键词：

CLUSTERS; BUCKYBALL; AROMATICITY;

D O I：

10.1039/c1cp20439d

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Boron could be the next element after carbon capable of forming 2D-materials similar to graphene. Theoretical calculations predict that the most stable planar all-boron structure is the so-called alpha-sheet. The mysterious structure of the alpha-sheet with peculiar distribution of filled and empty hexagons is rationalized in terms of chemical bonding. We show that the hexagon holes serve as scavengers of extra electrons from the filled hexagons. This work could advance rational design of all-boron nanomaterials.

引用

页码：11575 / 11578

页数：4

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