Journal
DAE SOLID STATE PHYSICS SYMPOSIUM 2018
Volume 2115, Issue -, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.5113277
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Funding
- University Grants Commission (UGC) for Basic Scientific Research (BSR) Fellowship
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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.
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