• 文献标题:   Deciphering the mystery of hexagon holes in an all-boron graphene alpha-sheet
  • 文献类型:   Article
  • 作  者:   GALEEV TR, CHEN Q, GUO JC, BAI H, MIAO CQ, LU HG, SERGEEVA AP, LI SD, BOLDYREV AI
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:   Shanxi Univ
  • 被引频次:   94
  • DOI:   10.1039/c1cp20439d
  • 出版年:   2011

▎ 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.