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- W3033853181 abstract "• Gamma Arsenene (GAs) nanosheets are constructed and stability of sheet is ensured. • The energy band gap of 1.39 eV is observed for GAs sheets and used as base material to adsorb vomiting agents. • Vomiting agents such as diphenylchloroarsine (DA) and diphenylcyanoarsine (DC) are physisorbed on GAs nanosheet. • The outcome discloses that GAs sheets are suitable to adsorb vomiting agents. For the first time, the investigation on gamma arsenene (GAs) nanosheet towards its structural firmness and electronic properties are scrutinized. We observed GAs nanosheet possesses semiconductor nature with band gap of 1.39 eV. Moreover, we used GAs nanosheet as a sensing substrate for vomiting agents, namely, diphenylchloroarsine (DA) and diphenylcyanoarsine (DC) molecules. Based on variation in band gap, Bader charge transfer, and adsorption energy we investigated the interaction of vomiting agents on GAs nanosheet. Also, the changes in the electronic characteristics of GAs nanosheets are observed with regard to the projected-density of states spectrum and band structure analysis. The findings show the evidence that novel GAs nanosheets can be used as a sensing medium for vomiting agents." @default.
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- W3033853181 date "2020-09-01" @default.
- W3033853181 modified "2023-09-24" @default.
- W3033853181 title "Novel gamma arsenene nanosheets as sensing medium for vomiting agents: A first-principles research" @default.
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- W3033853181 doi "https://doi.org/10.1016/j.comptc.2020.112876" @default.
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