Sc doped WSe2 monolayer: a candidate for enhanced adsorption and detection of SF6 decomposition gases
The fault type of GIS during running is related to the decomposition of the insulating gas SF6. In this paper, the adsorption behavior of three representative gases (SO2, SOF2, and SO2F2) decomposed by SF6 under unfavorable conditions at high temperature on the surface of Sc-doped WSe2 monolayers wa...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2022-03-01
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| Series: | Journal of Materials Research and Technology |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785422000758 |
| _version_ | 1819176516212228096 |
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| author | Yan Liu Jinying Zhou Lei Xu Jun Long Qian Cheng Wen Zeng |
| author_facet | Yan Liu Jinying Zhou Lei Xu Jun Long Qian Cheng Wen Zeng |
| author_sort | Yan Liu |
| collection | DOAJ |
| description | The fault type of GIS during running is related to the decomposition of the insulating gas SF6. In this paper, the adsorption behavior of three representative gases (SO2, SOF2, and SO2F2) decomposed by SF6 under unfavorable conditions at high temperature on the surface of Sc-doped WSe2 monolayers was discussed based on density functional theory. Adsorption systems of three target gases on Sc-WSe2 were developed, and the structural parameters, density of states and frontier molecular orbitals were calculated. The results show that the adsorption performance of target gases on Sc-WSe2 is better than that on intrinsic WSe2, indicating that the effectiveness of utilizing Sc atoms for modification. The strong interaction between WSe2 monolayers embedded with Sc atoms and gases confirmed the stability of the system in complex environments. Our findings are of great significance in the construction of atomically modified WSe2 gas sensors for detecting SF6 decomposition gases. |
| first_indexed | 2024-12-22T21:12:00Z |
| format | Article |
| id | doaj.art-00327d8d4c3e46cdbcd7ecdb0a61162e |
| institution | Directory Open Access Journal |
| issn | 2238-7854 |
| language | English |
| last_indexed | 2024-12-22T21:12:00Z |
| publishDate | 2022-03-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Materials Research and Technology |
| spelling | doaj.art-00327d8d4c3e46cdbcd7ecdb0a61162e2022-12-21T18:12:29ZengElsevierJournal of Materials Research and Technology2238-78542022-03-011717861798Sc doped WSe2 monolayer: a candidate for enhanced adsorption and detection of SF6 decomposition gasesYan Liu0Jinying Zhou1Lei Xu2Jun Long3Qian Cheng4Wen Zeng5China Automotive Engineering Research Institute Co., Ltd., Chongqing 401122, China; Corresponding author.China Automotive Engineering Research Institute Co., Ltd., Chongqing 401122, ChinaChina Automotive Engineering Research Institute Co., Ltd., Chongqing 401122, ChinaChina Automotive Engineering Research Institute Co., Ltd., Chongqing 401122, ChinaChina Automotive Engineering Research Institute Co., Ltd., Chongqing 401122, ChinaCollege of Materials Science and Engineering, Chongqing University, Chongqing 400044, China; Corresponding author.The fault type of GIS during running is related to the decomposition of the insulating gas SF6. In this paper, the adsorption behavior of three representative gases (SO2, SOF2, and SO2F2) decomposed by SF6 under unfavorable conditions at high temperature on the surface of Sc-doped WSe2 monolayers was discussed based on density functional theory. Adsorption systems of three target gases on Sc-WSe2 were developed, and the structural parameters, density of states and frontier molecular orbitals were calculated. The results show that the adsorption performance of target gases on Sc-WSe2 is better than that on intrinsic WSe2, indicating that the effectiveness of utilizing Sc atoms for modification. The strong interaction between WSe2 monolayers embedded with Sc atoms and gases confirmed the stability of the system in complex environments. Our findings are of great significance in the construction of atomically modified WSe2 gas sensors for detecting SF6 decomposition gases.http://www.sciencedirect.com/science/article/pii/S2238785422000758Sc-doped WSe2 monolayerDensity functional theoryAdsorption behaviorSF6 decomposition gasesAdsorption ability |
| spellingShingle | Yan Liu Jinying Zhou Lei Xu Jun Long Qian Cheng Wen Zeng Sc doped WSe2 monolayer: a candidate for enhanced adsorption and detection of SF6 decomposition gases Journal of Materials Research and Technology Sc-doped WSe2 monolayer Density functional theory Adsorption behavior SF6 decomposition gases Adsorption ability |
| title | Sc doped WSe2 monolayer: a candidate for enhanced adsorption and detection of SF6 decomposition gases |
| title_full | Sc doped WSe2 monolayer: a candidate for enhanced adsorption and detection of SF6 decomposition gases |
| title_fullStr | Sc doped WSe2 monolayer: a candidate for enhanced adsorption and detection of SF6 decomposition gases |
| title_full_unstemmed | Sc doped WSe2 monolayer: a candidate for enhanced adsorption and detection of SF6 decomposition gases |
| title_short | Sc doped WSe2 monolayer: a candidate for enhanced adsorption and detection of SF6 decomposition gases |
| title_sort | sc doped wse2 monolayer a candidate for enhanced adsorption and detection of sf6 decomposition gases |
| topic | Sc-doped WSe2 monolayer Density functional theory Adsorption behavior SF6 decomposition gases Adsorption ability |
| url | http://www.sciencedirect.com/science/article/pii/S2238785422000758 |
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