Adsorption properties of InP3 monolayer toward SF6 decomposed gases: A DFT study.

The detection of SF 6 decomposed gases is essential link for the fault diagnosis of gas-insulated switchgear (GIS). In this paper, the gas sensing properties of a new planar 2D material indium triphosphide (InP 3) had been proposed and studied towards four types of SF 6 decomposed gases (H 2 S, SO 2 , SOF 2 and SO 2 F 2) by DFT methods. The structural parameters, density of states and frontier molecular orbitals were calculated and analyzed via building the models of four adsorption systems. The simulation results of MoS 2 , graphene and InP 3 systems adsorbing four gas molecules were compared, and it was found that the InP 3 monolayer is a promising sensing material for detecting SF 6 characteristic gases. Desorption time of all InP 3 adsorption systems was investigated in various working temperature to evaluate its potential application in four main SF 6 decomposed gases detection. • First time InP 3 monolayer used for the adsorption performances of H 2 S, SO 2 , SOF 2 and SO 2 F 2 gases investigation. • The adsorption characteristics of MoS 2 , graphene and InP 3 systems to the four gas molecules were compared. • Desorption time of all adsorption systems in various working temperature was calculated. [ABSTRACT FROM AUTHOR]