Realizing graphene-like Dirac cones in triangular boron sheets by chemical functionalization

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 triangul...

Full description

Saved in:
Bibliographic Details
Published in:Journal of materials chemistry. C, Materials for optical and electronic devices Materials for optical and electronic devices, 2020-02, Vol.8 (8), p.2798-285
Main Authors: Xu, Shao-Gang, Chen, Zhong-Jia, Zhao, Yu-Jun, Zhang, Xiuwen, Xu, Hu, Yang, Xiao-Bao
Format: Article
Language:English
Subjects:
Boron
Borophene
Charge transfer
Cones
Graphene
Metalloids
Orbital stability
Organic chemistry
Thermal stability
Two dimensional materials
Two dimensional models
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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 B 3 X (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. The unique Dirac cone in graphene, rare and difficult to be realized in non-group IV materials, closely connects with many novel properties. We have theoretically designed a family of triangular boride monolayers with graphene-like Dirac cones.
ISSN:2050-7526
2050-7534
DOI:10.1039/c9tc06464h