Polymorphism of segmented grain boundaries in two-dimensional transition metal dichalcogenides
Grain boundaries (GBs) are vital to crystal materials and their applications. Although GBs in bulk and two-dimensional materials have been extensively studied, the segmented GBs observed in transition metal dichalcogenide monolayers by a sequence of folded segments remain a mystery. We visualize the...
| Main Authors: | , , , , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2022
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/160331 |
| _version_ | 1811681725272555520 |
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| author | Yu, Maolin Zhu, Chao He, Yongmin Zhou, Jiadong Xu, Ying Liu, Zheng Guo, Wanlin Zhang, Zhuhua |
| author2 | School of Materials Science and Engineering |
| author_facet | School of Materials Science and Engineering Yu, Maolin Zhu, Chao He, Yongmin Zhou, Jiadong Xu, Ying Liu, Zheng Guo, Wanlin Zhang, Zhuhua |
| author_sort | Yu, Maolin |
| collection | NTU |
| description | Grain boundaries (GBs) are vital to crystal materials and their applications. Although GBs in bulk and two-dimensional materials have been extensively studied, the segmented GBs observed in transition metal dichalcogenide monolayers by a sequence of folded segments remain a mystery. We visualize the large-area distribution of the segmented GBs in MoSe2 monolayers and unravel their structural origin using ab initio calculations combined with high-resolution atomic characterizations. Unlike normal GBs in two-dimensional materials with commonly one type of dislocation cores, the segmented GBs consist of two basic elements-4|8 and 4|4|8 cores, whose alloying results in structural diversity and distinctly high stability due to relieved stress fields nearby. The defective polygons can uniquely migrate along the segmented GBs via the movement of single molybdenum atoms, unobtrusively endowing a given GB with variable appearances. Furthermore, the segmented GBs can achieve useful functionalities such as intrinsic magnetism and highly active electrocatalysis. |
| first_indexed | 2024-10-01T03:45:30Z |
| format | Journal Article |
| id | ntu-10356/160331 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T03:45:30Z |
| publishDate | 2022 |
| record_format | dspace |
| spelling | ntu-10356/1603312022-07-19T06:50:51Z Polymorphism of segmented grain boundaries in two-dimensional transition metal dichalcogenides Yu, Maolin Zhu, Chao He, Yongmin Zhou, Jiadong Xu, Ying Liu, Zheng Guo, Wanlin Zhang, Zhuhua School of Materials Science and Engineering School of Electrical and Electronic Engineering Engineering::Materials Transition Metal Dichalcogenide Two-Dimensional Material Grain boundaries (GBs) are vital to crystal materials and their applications. Although GBs in bulk and two-dimensional materials have been extensively studied, the segmented GBs observed in transition metal dichalcogenide monolayers by a sequence of folded segments remain a mystery. We visualize the large-area distribution of the segmented GBs in MoSe2 monolayers and unravel their structural origin using ab initio calculations combined with high-resolution atomic characterizations. Unlike normal GBs in two-dimensional materials with commonly one type of dislocation cores, the segmented GBs consist of two basic elements-4|8 and 4|4|8 cores, whose alloying results in structural diversity and distinctly high stability due to relieved stress fields nearby. The defective polygons can uniquely migrate along the segmented GBs via the movement of single molybdenum atoms, unobtrusively endowing a given GB with variable appearances. Furthermore, the segmented GBs can achieve useful functionalities such as intrinsic magnetism and highly active electrocatalysis. Agency for Science, Technology and Research (A*STAR) Ministry of Education (MOE) National Research Foundation (NRF) This work was supported by the National Key Research and Development Program of China (2019YFA0705400), the National Natural Science Foundation of China (11772153, 22073048, 51802153), the Natural Science Foundation of Jiangsu Province (BK20190018), the Research Fund of State Key Laboratory of Mechanics and Control of Mechanical Structures (MCMS-I-0419K01, MCMS-E-0420K01), the Fundamental Research Funds for the Central Universities (NJ2020003, NZ2020001), and a Project by the Priority Academic Program Development of Jiangsu Higher Education Institutions. It was also supported by the National Research Foundation Singapore program (NRF-CRP21-2018-0007, NRF-CRP22-2019-0007), the Singapore Ministry of Education via AcRF Tier 3 Program 'Geometrical Quantum Materials' (MOE2018-T3-1-002), AcRF Tier 2 (MOE2016-T2-1-131), and AcRF Tier 1 RG4/17 and RG7/18. This research was also supported by A*STAR under its AME IRG Grant (19283074). 2022-07-19T06:50:50Z 2022-07-19T06:50:50Z 2021 Journal Article Yu, M., Zhu, C., He, Y., Zhou, J., Xu, Y., Liu, Z., Guo, W. & Zhang, Z. (2021). Polymorphism of segmented grain boundaries in two-dimensional transition metal dichalcogenides. Nano Letters, 21(14), 6014-6021. https://dx.doi.org/10.1021/acs.nanolett.1c01156 1530-6984 https://hdl.handle.net/10356/160331 10.1021/acs.nanolett.1c01156 34236873 2-s2.0-85111176414 14 21 6014 6021 en NRF-CRP21-2018-0007 NRF-CRP22-2019-0007 MOE2018-T3-1-002 MOE2016-T2-1- 131 RG4/17 RG7/18 19283074 Nano Letters © 2021 American Chemical Society. All rights reserved. |
| spellingShingle | Engineering::Materials Transition Metal Dichalcogenide Two-Dimensional Material Yu, Maolin Zhu, Chao He, Yongmin Zhou, Jiadong Xu, Ying Liu, Zheng Guo, Wanlin Zhang, Zhuhua Polymorphism of segmented grain boundaries in two-dimensional transition metal dichalcogenides |
| title | Polymorphism of segmented grain boundaries in two-dimensional transition metal dichalcogenides |
| title_full | Polymorphism of segmented grain boundaries in two-dimensional transition metal dichalcogenides |
| title_fullStr | Polymorphism of segmented grain boundaries in two-dimensional transition metal dichalcogenides |
| title_full_unstemmed | Polymorphism of segmented grain boundaries in two-dimensional transition metal dichalcogenides |
| title_short | Polymorphism of segmented grain boundaries in two-dimensional transition metal dichalcogenides |
| title_sort | polymorphism of segmented grain boundaries in two dimensional transition metal dichalcogenides |
| topic | Engineering::Materials Transition Metal Dichalcogenide Two-Dimensional Material |
| url | https://hdl.handle.net/10356/160331 |
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