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Issue 40, 2020
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Superhard sp2–sp3 hybridized B2C3N2 with 2D metallicity

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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

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Supplementary files

Article information

15 Jun 2020
01 Aug 2020
First published
03 Aug 2020

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

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

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