Layered metal carbo–selenide Nb2CSe2 with van der Waals interlayer coupling
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...
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Tsinghua University Press
2025-01-01
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| Series: | Journal of Advanced Ceramics |
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| Online Access: | https://www.sciopen.com/article/10.26599/JAC.2024.9221008 |
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| author | Junchao Wang Renfei Cheng Tao Hu Xinyue Tang Yan Liang Min Tian Ting Xiong Qiuhong Lu Qi Zhu Zhiqing Yang Xiaohui Wang Yanchun Zhou |
| author_facet | Junchao Wang Renfei Cheng Tao Hu Xinyue Tang Yan Liang Min Tian Ting Xiong Qiuhong Lu Qi Zhu Zhiqing Yang Xiaohui Wang Yanchun Zhou |
| author_sort | Junchao Wang |
| collection | DOAJ |
| description | 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 P3¯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. |
| format | Article |
| id | doaj-art-605ad8d79826474c9a11bc5881d85562 |
| institution | Kabale University |
| issn | 2226-4108 2227-8508 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Tsinghua University Press |
| record_format | Article |
| series | Journal of Advanced Ceramics |
| spelling | doaj-art-605ad8d79826474c9a11bc5881d855622025-01-24T07:52:15ZengTsinghua University PressJournal of Advanced Ceramics2226-41082227-85082025-01-01141922100810.26599/JAC.2024.9221008Layered metal carbo–selenide Nb2CSe2 with van der Waals interlayer couplingJunchao Wang0Renfei Cheng1Tao Hu2Xinyue Tang3Yan Liang4Min Tian5Ting Xiong6Qiuhong Lu7Qi Zhu8Zhiqing Yang9Xiaohui Wang10Yanchun Zhou11Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, ChinaShenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, ChinaInstitute of Materials Science and Devices, School of Materials Science and Engineering, Suzhou University of Science and Technology, Suzhou 215009, ChinaShenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, ChinaShenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, ChinaJi Hua Laboratory, Foshan 528000, ChinaJi Hua Laboratory, Foshan 528000, ChinaJi Hua Laboratory, Foshan 528000, ChinaKey Laboratory for Anisotropy and Texture of Materials (Ministry of Education), School of Materials Science and Engineering, Northeastern University, Shenyang 110819, ChinaJi Hua Laboratory, Foshan 528000, ChinaShenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, ChinaSchool of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001, ChinaThe 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 P3¯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.https://www.sciopen.com/article/10.26599/JAC.2024.9221008mxenenb2cse2crystal structureelectronic structureelastic propertiesinterlayer couplingraman spectroscopyfriction coefficient |
| spellingShingle | Junchao Wang Renfei Cheng Tao Hu Xinyue Tang Yan Liang Min Tian Ting Xiong Qiuhong Lu Qi Zhu Zhiqing Yang Xiaohui Wang Yanchun Zhou Layered metal carbo–selenide Nb2CSe2 with van der Waals interlayer coupling Journal of Advanced Ceramics mxene nb2cse2 crystal structure electronic structure elastic properties interlayer coupling raman spectroscopy friction coefficient |
| title | Layered metal carbo–selenide Nb2CSe2 with van der Waals interlayer coupling |
| title_full | Layered metal carbo–selenide Nb2CSe2 with van der Waals interlayer coupling |
| title_fullStr | Layered metal carbo–selenide Nb2CSe2 with van der Waals interlayer coupling |
| title_full_unstemmed | Layered metal carbo–selenide Nb2CSe2 with van der Waals interlayer coupling |
| title_short | Layered metal carbo–selenide Nb2CSe2 with van der Waals interlayer coupling |
| title_sort | layered metal carbo selenide nb2cse2 with van der waals interlayer coupling |
| topic | mxene nb2cse2 crystal structure electronic structure elastic properties interlayer coupling raman spectroscopy friction coefficient |
| url | https://www.sciopen.com/article/10.26599/JAC.2024.9221008 |
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