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

doi:10.26599/JAC.2024.9221008

IMR OpenIR

	Layered metal carbo-selenide Nb2CSe2 with van der Waals interlayer coupling
	Wang, Junchao 1,2; Cheng, Renfei 1; Hu, Tao 3; Tang, Xinyue 1,4; Liang, Yan 1; Tian, Min 5; Xiong, Ting 5; Lu, Qiuhong 5; Zhu, Qi 6; Yang, Zhiqing 5; Wang, Xiaohui 1; Zhou, Yanchun 7
通讯作者	Hu, Tao(thu@usts.edu.cn) ; Yang, Zhiqing(yangzq34@yahoo.com) ; Wang, Xiaohui(wang@imr.ac.cn) ; Zhou, Yanchun(yczhou@alum.imr.ac.cn)
	2025
发表期刊	JOURNAL OF ADVANCED CERAMICS
ISSN	2226-4108
卷号	14 期号:1 页码:10
摘要	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 m 1, No. 164), with lattice parameters of a = 3.33 & Aring; and c = 18.20 & Aring;. 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 6.6x105 Sm-1, outperforming the counterparts in the MXene family. Owing to the layered structure, the bonding in Nb2CSe2 with an ionic formula of (Nb 1.48+ ) 2 (C 1.74- )(Se 0.61- ) 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.
关键词	MXene Nb2CSe2 crystal structure electronic structure elastic properties interlayer coupling Raman spectroscopy friction coefficient
资助者	Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Basic and Applied Basic Research Program of Guangdong Province ; Ji Hua Laboratory
DOI	10.26599/JAC.2024.9221008
收录类别	SCI
语种	英语
资助项目	Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Basic and Applied Basic Research Program of Guangdong Province[2021B0301030003] ; Ji Hua Laboratory[X210141TL210]
WOS研究方向	Materials Science
WOS类目	Materials Science, Ceramics
WOS记录号	WOS:001409360300002
出版者	TSINGHUA UNIV PRESS
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/180631
专题	中国科学院金属研究所
通讯作者	Hu, Tao; Yang, Zhiqing; Wang, Xiaohui; Zhou, Yanchun
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 3.Suzhou Univ Sci & Technol, Inst Mat Sci & Devices, Sch Mat Sci & Engn, Suzhou 215009, Peoples R China 4.Shenyang Ligong Univ, Sch Mat Sci & Engn, Shenyang 110159, Peoples R China 5.Ji Hua Lab, Foshan 528000, Peoples R China 6.Northeastern Univ, Sch Mat Sci & Engn, Key Lab Anisotropy & Texture Mat, Minist Educ, Shenyang 110819, Peoples R China 7.Zhengzhou Univ, Sch Mat Sci & Engn, Zhengzhou 450001, Peoples R China
推荐引用方式 GB/T 7714	Wang, Junchao,Cheng, Renfei,Hu, Tao,et al. Layered metal carbo-selenide Nb2CSe2 with van der Waals interlayer coupling[J]. JOURNAL OF ADVANCED CERAMICS,2025,14(1):10.
APA	Wang, Junchao.,Cheng, Renfei.,Hu, Tao.,Tang, Xinyue.,Liang, Yan.,...&Zhou, Yanchun.(2025).Layered metal carbo-selenide Nb2CSe2 with van der Waals interlayer coupling.JOURNAL OF ADVANCED CERAMICS,14(1),10.
MLA	Wang, Junchao,et al."Layered metal carbo-selenide Nb2CSe2 with van der Waals interlayer coupling".JOURNAL OF ADVANCED CERAMICS 14.1(2025):10.