First-Principles Study for Gas Sensing of Defective SnSe<sub>2</sub> Monolayers
We report the interaction between gas molecules (NO<sub>2</sub> and NH<sub>3</sub>) and the SnSe<sub>2</sub> monolayers with vacancy and dopants (O and N) for potential applications as gas sensors. Compared with the gas molecular adsorbed on pristine SnSe<sub&g...
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| Format: | Article |
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MDPI AG
2020-02-01
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| Series: | Applied Sciences |
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| Online Access: | https://www.mdpi.com/2076-3417/10/5/1623 |
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| author | Wei-Ying Cheng Huei-Ru Fuh Ching-Ray Chang |
| author_facet | Wei-Ying Cheng Huei-Ru Fuh Ching-Ray Chang |
| author_sort | Wei-Ying Cheng |
| collection | DOAJ |
| description | We report the interaction between gas molecules (NO<sub>2</sub> and NH<sub>3</sub>) and the SnSe<sub>2</sub> monolayers with vacancy and dopants (O and N) for potential applications as gas sensors. Compared with the gas molecular adsorbed on pristine SnSe<sub>2</sub> monolayer, the Se-vacancy SnSe<sub>2</sub> monolayer obviously enhances sensitivity to NO<sub>2</sub> adsorption. The O-doped SnSe<sub>2</sub> monolayer shows similar sensitivity to the pristine SnSe<sub>2</sub> monolayer when adsorbing NO<sub>2</sub> molecule. However, only the N-doped SnSe<sub>2</sub> monolayer represents a visible enhancement for NO<sub>2</sub> and NH<sub>3</sub> adsorption. This work reveals that the selectivity and sensitivity of SnSe<sub>2</sub>-based gas sensors could be improved by introducing the vacancy or dopants. |
| first_indexed | 2024-12-13T03:58:17Z |
| format | Article |
| id | doaj.art-2fc0eea119be46e08891c1240598598c |
| institution | Directory Open Access Journal |
| issn | 2076-3417 |
| language | English |
| last_indexed | 2024-12-13T03:58:17Z |
| publishDate | 2020-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Applied Sciences |
| spelling | doaj.art-2fc0eea119be46e08891c1240598598c2022-12-22T00:00:32ZengMDPI AGApplied Sciences2076-34172020-02-01105162310.3390/app10051623app10051623First-Principles Study for Gas Sensing of Defective SnSe<sub>2</sub> MonolayersWei-Ying Cheng0Huei-Ru Fuh1Ching-Ray Chang2Graduate Institute of Applied Physics, National Taiwan University, Taipei 10617, TaiwanDepartment of Chemical Engineering & Materials Science, Yuan Ze University, Taoyuan 32003, TaiwanDepartment of Physics, National Taiwan University, Taipei 10617, TaiwanWe report the interaction between gas molecules (NO<sub>2</sub> and NH<sub>3</sub>) and the SnSe<sub>2</sub> monolayers with vacancy and dopants (O and N) for potential applications as gas sensors. Compared with the gas molecular adsorbed on pristine SnSe<sub>2</sub> monolayer, the Se-vacancy SnSe<sub>2</sub> monolayer obviously enhances sensitivity to NO<sub>2</sub> adsorption. The O-doped SnSe<sub>2</sub> monolayer shows similar sensitivity to the pristine SnSe<sub>2</sub> monolayer when adsorbing NO<sub>2</sub> molecule. However, only the N-doped SnSe<sub>2</sub> monolayer represents a visible enhancement for NO<sub>2</sub> and NH<sub>3</sub> adsorption. This work reveals that the selectivity and sensitivity of SnSe<sub>2</sub>-based gas sensors could be improved by introducing the vacancy or dopants.https://www.mdpi.com/2076-3417/10/5/1623snse<sub>2</sub>defecto-dopedn-dopedgas sensorsfirst-principle study |
| spellingShingle | Wei-Ying Cheng Huei-Ru Fuh Ching-Ray Chang First-Principles Study for Gas Sensing of Defective SnSe<sub>2</sub> Monolayers Applied Sciences snse<sub>2</sub> defect o-doped n-doped gas sensors first-principle study |
| title | First-Principles Study for Gas Sensing of Defective SnSe<sub>2</sub> Monolayers |
| title_full | First-Principles Study for Gas Sensing of Defective SnSe<sub>2</sub> Monolayers |
| title_fullStr | First-Principles Study for Gas Sensing of Defective SnSe<sub>2</sub> Monolayers |
| title_full_unstemmed | First-Principles Study for Gas Sensing of Defective SnSe<sub>2</sub> Monolayers |
| title_short | First-Principles Study for Gas Sensing of Defective SnSe<sub>2</sub> Monolayers |
| title_sort | first principles study for gas sensing of defective snse sub 2 sub monolayers |
| topic | snse<sub>2</sub> defect o-doped n-doped gas sensors first-principle study |
| url | https://www.mdpi.com/2076-3417/10/5/1623 |
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