Molecules (May 2022)

Gas-Sensing Property of TM-MoTe<sub>2</sub> Monolayer towards SO<sub>2</sub>, SOF<sub>2</sub>, and HF Gases

  • Aijuan Zhang,
  • Qunfeng Dong,
  • Yingang Gui,
  • Jinfang Li,
  • Feng Wan

DOI
https://doi.org/10.3390/molecules27103176
Journal volume & issue
Vol. 27, no. 10
p. 3176

Abstract

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Detecting the characteristic decomposition products (SO2, SOF2, and HF) of SF6 is an effective way to diagnose the electric discharge in SF6-insulated equipment. Based on first-principles calculations, Au, Ag, and Cu were chosen as the surface modification transition metal to improve the adsorption and gas-sensing properties of MoTe2 monolayer towards SO2, SOF2, and HF gases. The results show that Au, Ag, and Cu atoms tend to be trapped by TH sites on the MoTe2 monolayer, and the binding strength increases in the order of Ag 2 monolayer can be used as gas-sensing material for SO2, SOF2, and HF. The conductivity of the adsorption system changes significantly. The conductivity decreases upon gases adsorption on TM-MoTe2 monolayer, except the conductivity of Ag-MoTe2 monolayer increases after interacting with SOF2 gas.

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