Transition Metal-Doped Ges Monolayers as Gas-Sensitive Materials for C4f7n Decomposition: A First Principles Study

Abstract

Perfluoroisobutyronitrile (C4F7N), as a new environmentally friendly insulating gas, is widely used in insulating equipment. By detecting the breakdown products of C4F7N, we can effectively monitor the operation status of insulating equipment. In this study, the monolayer GeS material is used as the substrate, and by doping four transition metals, Au, Ag, Pt, and Pd, it exhibits strong adsorption capacity for the C4F7N decomposition products CF4, COF2, C2N2, and CF3CN. This study reveals the enhancement mechanism of transition metal doping on the gas-sensitized performance of GeS, which provides a potential application for the monitoring of C4F7N insulating equipment.

Keywords: GeS monolayer, C4F7N decomposition, Transition metal, Density Functional Theory