First-principles study of Adsorption and Gas Sensing Properties of Pt-modified InN for SF6 Decomposition Components

In this study, we propose Pt-modified InN (Pt-InN) as an adsorption and sensing material for typical SF6 decomposition gases (SO2, SOF2, and SO2F2). On the basis of density functional theory, the adsorption structure, energy, charge transfer, deformed charge density, the total density of states, the partial density of states, and recovery time were discussed and calculated in detail, and the internal mechanism of the entire adsorption process was clarified. Analysis results show that Pt doping can considerably improve the characteristic response of pure InN monolayers to SF6 decomposition gases. The high adsorption energy indicates a chemical interaction between the Pt-InN monolayer and SO2, SOF2, and SO2F2 molecules, making Pt-InN a potential candidate material for SF6 decomposition gas sensors. This study also guides further research on InN as a gas sensor.