• 文献标题:   Realizing graphene-like Dirac cones in triangular boron sheets by chemical functionalization
  • 文献类型:   Article
  • 作  者:   XU SG, CHEN ZJ, ZHAO YJ, ZHANG XW, XU H, YANG XB
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF MATERIALS CHEMISTRY C
  • ISSN:   2050-7526 EI 2050-7534
  • 通讯作者地址:   Shenzhen Univ
  • 被引频次:   2
  • DOI:   10.1039/c9tc06464h
  • 出版年:   2020

▎ 摘  要

The most important feature in graphene is its unique Dirac cone, which is closely associated with many novel properties. However, this type of Dirac cone is rare and difficult to realize in non-group-IV two-dimensional (2D) materials. In this work, we have theoretically designed a family of triangular B3X (X = H, F, and Cl) monolayers with graphene-like Dirac cones in terms of constituent atomic orbitals and high thermal stability. Furthermore, based on the idea of effective charge transfer, we have uncovered the key mechanism for the realization of graphene-like Dirac cones with a concise bond distribution model, which is valid for the 2D boron-based materials with a single Dirac cone and double Dirac cones. Our results offer new insights into the design of 2D boron-based Dirac semimetals by chemical adsorption, which may stimulate the development of 2D boron research.