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Gas-sensing properties of Ptn-doped WSe2 to SF6 decomposition products
Lingna Xu,Yingang Gui,Wenjun Li,Qiaomei Li,Xianping Chen 한국공업화학회 2021 Journal of Industrial and Engineering Chemistry Vol.97 No.-
Two-dimensional transition metal disulfides (TMDs) has attracted considerable attention due to itsexcellent physicochemical properties. In order to detect the SF6 decomposition products, transition metalPt cluster doping was chosen to enhance the adsorption property of intrinsic WSe2 monolayer. Theadsorption of SO2, SOF2 and SO2F2 on Ptn (n = 1–3) doped WSe2 monolayer is studied based on thefirstprinciplecalculation. The adsorption energy, charge transfer, and density of states of the interactionbetween the target gas molecules and Ptn-WSe2 were studied. The calculation results showed that Pt3doping dramatically enhances the adsorption of WSe2 to SO2 and SOF2 and SO2F2 molecules. Meanwhile,electrons transfer from Ptn-WSe2 surface to these three kinds of target gas molecules, reducing theconductivity of the adsorption system in different degrees. The results of this study not only haveimportant significance for explaining the sensing mechanism of Ptn-WSe2 adsorption to SF6 gasdecomposition products, but also provide a potential material for further development of gas sensingsensors.