Jump to main content
Jump to site search

Issue 40, 2020
Previous Article Next Article

Superhard sp2–sp3 hybridized B2C3N2 with 2D metallicity

Author affiliations

Abstract

Ternary boron–carbon–nitrogen (B–C–N) compounds are considered to possess hardness comparable to diamond and thermal stability comparable to c-BN. Explorations for desirable B–C–N phases have been continuous. However, the nonconductive properties of most B–C–N compounds narrow the applications of these compounds. Herein, we propose a sp2–sp3 hybridized phase of t-B2C3N2, which consists of diamond-like BC blocks connected with single N–N bonds. Elastic constants and phonon dispersion curves confirm that t-B2C3N2 is mechanically and dynamically stable. The structure processes 2D metallicity in a strong 3D network. Furthermore, hardness and electron–phonon calculations reveal that t-B2C3N2 is superhard and superconductive with a superconducting critical temperature reaching 2.3 K.

Graphical abstract: Superhard sp2–sp3 hybridized B2C3N2 with 2D metallicity

Back to tab navigation

Supplementary files

Article information


Submitted
15 Jun 2020
Accepted
01 Aug 2020
First published
03 Aug 2020

Phys. Chem. Chem. Phys., 2020,22, 22918-22922
Article type
Paper

Superhard sp2–sp3 hybridized B2C3N2 with 2D metallicity

B. Li, Y. Zhang, K. Luo, C. Xie, Y. Gao, L. Hao, Y. Wu, S. Zhang, M. Ma, Z. Zhao and J. He, Phys. Chem. Chem. Phys., 2020, 22, 22918
DOI: 10.1039/D0CP03196H

Social activity

Search articles by author

Spotlight

Advertisements