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- W4282982777 abstract "With an inspiration of sensing toxic gases, this study is aimed at exploring the potential of a Janus MoSSe monolayer as a gas sensor. Here, we focused on the adsorption mechanism after the exposure to NH3, NO2, NO, HCN, CO2, CO, H2, H2S and SO2 on both the S and Se sites of MoSSe. We investigated the structural geometries and electronic, sensing and electron-transport properties before and after adsorption of the aforementioned gases by applying DFT calculations. The results revealed the higher binding strength of NO2/SO2 and NO on Se and S sites, respectively, among all the gas adsorptions on the MoSSe monolayer. Moreover, DOS revealed strong orbital contributions at EF, which confirmed the n/p-type semiconducting character for the NO/NO2 adsorbed MoSSe monolayer. Further, the specific work function alteration after the adsorption of NO2, SO2 and NO indicated that the MoSSe monolayer could be a potential candidate for Φ-type gas sensor at 300 K. Additionally, the higher electron transmission and prominent electrical response values of 76.4/56 μA and 82 μA suggested a maximum sensitivity of 98%/89% and 93% at a particular voltage for NO2/SO2 and NO on Se and S sites, respectively. Thus, our results promote surface selectivity, i.e. S or Se site, and better sensitivity with recycling potential could enable sensing application of the Janus MoSSe monolayer for toxic gases detection." @default.
- W4282982777 created "2022-06-17" @default.
- W4282982777 creator A5007129052 @default.
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- W4282982777 date "2022-01-01" @default.
- W4282982777 modified "2023-10-16" @default.
- W4282982777 title "Selective and sensitive toxic gas-sensing mechanism in a 2D Janus MoSSe monolayer" @default.
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- W4282982777 doi "https://doi.org/10.1039/d2cp01648f" @default.
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