| Autor: |
Anurag Srivastava, Mushahid Husain, Mohd. Shahid Khan, Md. Shahzad Khan, Archana Sharma |
| Rok vydání: |
2019 |
| Předmět: |
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| Zdroj: |
DAE SOLID STATE PHYSICS SYMPOSIUM 2018. |
| ISSN: |
0094-243X |
| Popis: |
Phosgene sensing capability of pristine and Si embedded into the S vacancy of MoS2 sheet is demonstrated using density functional theory (DFT) calculations. Phosgene is more strongly adsorbed on the Si-doped MoS2 as compared to pristine MoS2. The transport calculations show Si-doped MoS2 is more sensitive to the phosgene gas molecule than the undoped version. It is revealed that the sensitivity of MoS2-based gas sensor towards phosgene gas molecule can be effectively improved by introducing Si dopant. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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