Adsorption

Engineering

Chemical physics

Materials science

Graphene

Indium

Molecule

Physical chemistry

Mechanical engineering

Nanotechnology

Organic chemistry

Sulfur hexafluoride

Switchgear

Desorption

Analytical Chemistry (journal)

Monolayer

Chemistry

Optoelectronics

Physica E Low-dimensional Systems and Nanostructures

The detection of SF6 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 (InP3) had been proposed and studied towards four types of SF6 decomposed gases (H2S, SO2, SOF2and SO2F2) 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 MoS2, graphene and InP3 systems adsorbing four gas molecules were compared, and it was found that the InP3 monolayer is a promising sensing material for detecting SF6 characteristic gases. Desorption time of all InP3 adsorption systems was investigated in various working temperature to evaluate its potential application in four main SF6 decomposed gases detection.

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