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Research Article | Open Access

Layered metal carbo–selenide Nb2CSe2 with van der Waals interlayer coupling

Junchao Wang1,2,†, Renfei Cheng1,†, Tao Hu3( ), Xinyue Tang1,4, Yan Liang1, Min Tian5, Ting Xiong5, Qiuhong Lu5, Qi Zhu6, Zhiqing Yang5( ), Xiaohui Wang1( ), Yanchun Zhou7( )
Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
School of Materials Science and Engineering, University of Science and Technology of China, Shenyang 110016, China
Institute of Materials Science and Devices, School of Materials Science and Engineering, Suzhou University of Science and Technology, Suzhou 215009, China
School of Materials Science and Engineering, Shenyang Ligong University, Shenyang 110159, China
Ji Hua Laboratory, Foshan 528000, China
Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), School of Materials Science and Engineering, Northeastern University, Shenyang 110819, China
School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001, China

† Junchao Wang and Renfei Cheng contributed equally to this work.

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Graphical Abstract

Abstract

The stacking structure of Nb2CSe2, a newly synthesized layered metal carbo-selenide, was elucidated by scanning transmission electron microscopy. Nb2CSe2 features Se−Nb−C−Nb−Se quintuple atomic layers. These layers are stacked in Bernal mode. In this mode, Nb2CSe2 crystallizes in a trigonal symmetry (space group P 3¯m1, No. 164), with lattice parameters of a = 3.33 Å and c = 18.20 Å. Electronic structure calculations indicate that the metal carbo-selenide has Fermi energy crossing the bands where it touches to give a zero gap, indicating that it is an electronic conductor. As evidenced experimentally, the electrical conductivity is as high as 6.6×105 S·m−1, outperforming the counterparts in the MXene family. Owing to the layered structure, the bonding in Nb2CSe2 with an ionic formula of (Nb1.48+)2(C1.74−)(Se0.61−)2 is highly anisotropic, with metallic–covalent–ionic bonding in intralayers and weak bonding between interlayers. The layered nature is further evidenced by elastic properties, interlayer energy, and friction coefficient determination. These characteristics indicate that Nb2CSe2 is an analog of molybdenum disulfide (MoS2), which is a typical binary van der Waals (vdW) solid. Moreover, vibrational properties are reported, which may offer an optical identification standard for new ternary vdW solids in spectroscopic studies, including Raman scattering and infrared absorption.

Keywords

MXeneNb2CSe2crystal structureelectronic structureelastic propertiesinterlayer couplingRaman spectroscopyfriction coefficient

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Journal of Advanced Ceramics
Volume 14 Issue 1,
January 2025
Article number: 9221008
DOI: 10.26599/JAC.2024.9221008
Cite this article:
Wang J, Cheng R, Hu T, et al. Layered metal carbo–selenide Nb2CSe2 with van der Waals interlayer coupling. Journal of Advanced Ceramics, 2025, 14(1): 9221008. https://doi.org/10.26599/JAC.2024.9221008

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Received: 12 September 2024
Revised: 09 November 2024
Accepted: 23 November 2024
Published: 17 January 2025
© The Author(s) 2025.

This is an open access article under the terms of the Creative Commons Attribution 4.0 International License (CC BY 4.0, http://creativecommons.org/licenses/by/4.0/).
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