Issue 16, 2016

The electronic, optical, and thermodynamic properties of borophene from first-principles calculations

Abstract

Borophene (a two-dimensional boron sheet) is a new type of two-dimensional material, which was recently grown successfully on single crystal Ag substrates. In this paper, we investigate the electronic structure and bonding characteristics of borophene by first-principles calculations. The band structure of borophene shows highly anisotropic metallic behaviour. The obtained optical properties of borophene exhibit strong anisotropy as well. Finally, the thermodynamic properties are investigated based on the phonon properties.

Graphical abstract: The electronic, optical, and thermodynamic properties of borophene from first-principles calculations

Article information

Article type
Paper
Submitted
10 ⵉⵏⵏ 2016
Accepted
29 ⵎⴰⵕ 2016
First published
08 ⵉⴱⵔ 2016

J. Mater. Chem. C, 2016,4, 3592-3598

The electronic, optical, and thermodynamic properties of borophene from first-principles calculations

B. Peng, H. Zhang, H. Shao, Y. Xu, R. Zhang and H. Zhu, J. Mater. Chem. C, 2016, 4, 3592 DOI: 10.1039/C6TC00115G

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