Anisotropic point defects in rhenium diselenide monolayers
Point defects in 1T″ anisotropic ReSe2 offer many possibilities for defect engineering, which could endow this two-dimensional semiconductor with new functionalities, but have so far received limited attention. Here, we systematically investigate a full spectrum of point defects in ReSe2, including...
| Main Authors: | , , , , , , , , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2023
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/164212 |
| _version_ | 1811677749737160704 |
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| author | Zhu, Yong Tao, Lei Chen, Xiya Ma, Yinhang Ning, Shoucong Zhou, Jiadong Zhao, Xiaoxu Bosman, Michel Liu, Zheng Du, Shixuan Pantelides, Sokrates T. Zhou, Wu |
| author2 | School of Materials Science and Engineering |
| author_facet | School of Materials Science and Engineering Zhu, Yong Tao, Lei Chen, Xiya Ma, Yinhang Ning, Shoucong Zhou, Jiadong Zhao, Xiaoxu Bosman, Michel Liu, Zheng Du, Shixuan Pantelides, Sokrates T. Zhou, Wu |
| author_sort | Zhu, Yong |
| collection | NTU |
| description | Point defects in 1T″ anisotropic ReSe2 offer many possibilities for defect engineering, which could endow this two-dimensional semiconductor with new functionalities, but have so far received limited attention. Here, we systematically investigate a full spectrum of point defects in ReSe2, including vacancies (VSe1-4), isoelectronic substitutions (OSe1-4 and SSe1-4), and antisite defects (SeRe1-2 and ReSe1-4), by atomic-scale electron microscopy imaging and density functional theory (DFT) calculations. Statistical counting reveals a diverse density of various point defects, which are further elaborated by the formation energy calculations. Se vacancy dynamics was unraveled by in-situ electron beam irradiation. DFT calculations reveal that vacancies at Se sites notably introduce in-gap states, which are largely quenched upon isoelectronic substitutions (O and S), whereas antisite defects introduce localized magnetic moments. These results provide atomic-scale insight of atomic defects in 1T″-ReSe2, paving the way for tuning the electronic structure of anisotropic ReSe2 via defect engineering. |
| first_indexed | 2024-10-01T02:42:19Z |
| format | Journal Article |
| id | ntu-10356/164212 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T02:42:19Z |
| publishDate | 2023 |
| record_format | dspace |
| spelling | ntu-10356/1642122023-07-14T16:06:39Z Anisotropic point defects in rhenium diselenide monolayers Zhu, Yong Tao, Lei Chen, Xiya Ma, Yinhang Ning, Shoucong Zhou, Jiadong Zhao, Xiaoxu Bosman, Michel Liu, Zheng Du, Shixuan Pantelides, Sokrates T. Zhou, Wu School of Materials Science and Engineering Engineering::Materials Materials Synthesis Nanomaterials Point defects in 1T″ anisotropic ReSe2 offer many possibilities for defect engineering, which could endow this two-dimensional semiconductor with new functionalities, but have so far received limited attention. Here, we systematically investigate a full spectrum of point defects in ReSe2, including vacancies (VSe1-4), isoelectronic substitutions (OSe1-4 and SSe1-4), and antisite defects (SeRe1-2 and ReSe1-4), by atomic-scale electron microscopy imaging and density functional theory (DFT) calculations. Statistical counting reveals a diverse density of various point defects, which are further elaborated by the formation energy calculations. Se vacancy dynamics was unraveled by in-situ electron beam irradiation. DFT calculations reveal that vacancies at Se sites notably introduce in-gap states, which are largely quenched upon isoelectronic substitutions (O and S), whereas antisite defects introduce localized magnetic moments. These results provide atomic-scale insight of atomic defects in 1T″-ReSe2, paving the way for tuning the electronic structure of anisotropic ReSe2 via defect engineering. Nanyang Technological University Published version This work is supported by the National Key R&D Program of China (No. 2018YFA0305800), Beijing Outstanding Young Scientist Program (BJJWZYJH01201914430039) and the Strategic Priority Research Program of the Chinese Academy of Sciences (XDB30000000). X.X.Z. thanks the support from the Presidential Postdoctoral Fellowship, Nanyang Technological University, Singapore via grant 03INS000973C150. 2023-01-10T00:40:28Z 2023-01-10T00:40:28Z 2021 Journal Article Zhu, Y., Tao, L., Chen, X., Ma, Y., Ning, S., Zhou, J., Zhao, X., Bosman, M., Liu, Z., Du, S., Pantelides, S. T. & Zhou, W. (2021). Anisotropic point defects in rhenium diselenide monolayers. IScience, 24(12), 103456-. https://dx.doi.org/10.1016/j.isci.2021.103456 2589-0042 https://hdl.handle.net/10356/164212 10.1016/j.isci.2021.103456 34888499 2-s2.0-85119935618 12 24 103456 en 03INS000973C150 iScience © 2021 The Author(s). This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). application/pdf |
| spellingShingle | Engineering::Materials Materials Synthesis Nanomaterials Zhu, Yong Tao, Lei Chen, Xiya Ma, Yinhang Ning, Shoucong Zhou, Jiadong Zhao, Xiaoxu Bosman, Michel Liu, Zheng Du, Shixuan Pantelides, Sokrates T. Zhou, Wu Anisotropic point defects in rhenium diselenide monolayers |
| title | Anisotropic point defects in rhenium diselenide monolayers |
| title_full | Anisotropic point defects in rhenium diselenide monolayers |
| title_fullStr | Anisotropic point defects in rhenium diselenide monolayers |
| title_full_unstemmed | Anisotropic point defects in rhenium diselenide monolayers |
| title_short | Anisotropic point defects in rhenium diselenide monolayers |
| title_sort | anisotropic point defects in rhenium diselenide monolayers |
| topic | Engineering::Materials Materials Synthesis Nanomaterials |
| url | https://hdl.handle.net/10356/164212 |
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