Atomic-scale mechanisms of defect- and light-induced oxidation and degradation of InSe
Layered indium selenide (InSe), a new two-dimensional (2D) material with a hexagonal structure and semiconducting characteristics, is gaining increasing attention owing to its intriguing electronic properties. Here, by using first-principles calculations, we reveal that perfect InSe possesses high c...
| Main Authors: | , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
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2020
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| Online Access: | https://hdl.handle.net/10356/140634 |
| _version_ | 1824455896938315776 |
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| author | Kistanov, Andrey A. Cai, Yongqing Zhou, Kun Dmitriev, Sergey V. Zhang, Yong-Wei |
| author2 | School of Mechanical and Aerospace Engineering |
| author_facet | School of Mechanical and Aerospace Engineering Kistanov, Andrey A. Cai, Yongqing Zhou, Kun Dmitriev, Sergey V. Zhang, Yong-Wei |
| author_sort | Kistanov, Andrey A. |
| collection | NTU |
| description | Layered indium selenide (InSe), a new two-dimensional (2D) material with a hexagonal structure and semiconducting characteristics, is gaining increasing attention owing to its intriguing electronic properties. Here, by using first-principles calculations, we reveal that perfect InSe possesses high chemical stability against oxidation, superior to MoS2. However, the presence of intrinsic Se vacancy (VSe) and light illumination can markedly affect its surface activity. In particular, the excess electrons associated with the exposed In atoms at the VSe site under illumination are able to remarkably reduce the dissociation barrier of O2 to ∼0.2 eV. Moreover, under ambient conditions, the splitting of O2 enables the formation of substitutional (apical) oxygen atomic species, which further cause the trapping and subsequent rapid splitting of H2O molecules and ultimately the formation of hydroxyl groups. Our findings uncover the causes and underlying mechanisms of InSe surface degradation via defect-photo-promoted oxidations. Such results will be beneficial in developing strategies for the storage of the InSe material and its applications for surface passivation with boron nitride, graphene or In-based oxide layers. |
| first_indexed | 2025-02-19T03:45:30Z |
| format | Journal Article |
| id | ntu-10356/140634 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2025-02-19T03:45:30Z |
| publishDate | 2020 |
| record_format | dspace |
| spelling | ntu-10356/1406342020-06-01T02:59:39Z Atomic-scale mechanisms of defect- and light-induced oxidation and degradation of InSe Kistanov, Andrey A. Cai, Yongqing Zhou, Kun Dmitriev, Sergey V. Zhang, Yong-Wei School of Mechanical and Aerospace Engineering Engineering::Mechanical engineering Atomic-scale Mechanisms Layered Indium Selenide (InSe) Layered indium selenide (InSe), a new two-dimensional (2D) material with a hexagonal structure and semiconducting characteristics, is gaining increasing attention owing to its intriguing electronic properties. Here, by using first-principles calculations, we reveal that perfect InSe possesses high chemical stability against oxidation, superior to MoS2. However, the presence of intrinsic Se vacancy (VSe) and light illumination can markedly affect its surface activity. In particular, the excess electrons associated with the exposed In atoms at the VSe site under illumination are able to remarkably reduce the dissociation barrier of O2 to ∼0.2 eV. Moreover, under ambient conditions, the splitting of O2 enables the formation of substitutional (apical) oxygen atomic species, which further cause the trapping and subsequent rapid splitting of H2O molecules and ultimately the formation of hydroxyl groups. Our findings uncover the causes and underlying mechanisms of InSe surface degradation via defect-photo-promoted oxidations. Such results will be beneficial in developing strategies for the storage of the InSe material and its applications for surface passivation with boron nitride, graphene or In-based oxide layers. ASTAR (Agency for Sci., Tech. and Research, S’pore) MOE (Min. of Education, S’pore) 2020-06-01T02:59:39Z 2020-06-01T02:59:39Z 2017 Journal Article Kistanov, A. A., Cai, Y., Zhou, K., Dmitriev, S. V., & Zhang, Y.-W. (2018). Atomic-scale mechanisms of defect- and light-induced oxidation and degradation of InSe. Journal of Materials Chemistry C, 6(3), 518-525. doi:10.1039/c7tc04738j 2050-7526 https://hdl.handle.net/10356/140634 10.1039/c7tc04738j 2-s2.0-85040983909 3 6 518 525 en Journal of Materials Chemistry C © 2018 The Royal Society of Chemistry. All rights reserved. |
| spellingShingle | Engineering::Mechanical engineering Atomic-scale Mechanisms Layered Indium Selenide (InSe) Kistanov, Andrey A. Cai, Yongqing Zhou, Kun Dmitriev, Sergey V. Zhang, Yong-Wei Atomic-scale mechanisms of defect- and light-induced oxidation and degradation of InSe |
| title | Atomic-scale mechanisms of defect- and light-induced oxidation and degradation of InSe |
| title_full | Atomic-scale mechanisms of defect- and light-induced oxidation and degradation of InSe |
| title_fullStr | Atomic-scale mechanisms of defect- and light-induced oxidation and degradation of InSe |
| title_full_unstemmed | Atomic-scale mechanisms of defect- and light-induced oxidation and degradation of InSe |
| title_short | Atomic-scale mechanisms of defect- and light-induced oxidation and degradation of InSe |
| title_sort | atomic scale mechanisms of defect and light induced oxidation and degradation of inse |
| topic | Engineering::Mechanical engineering Atomic-scale Mechanisms Layered Indium Selenide (InSe) |
| url | https://hdl.handle.net/10356/140634 |
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