Effect of Electric Field on Adsorption Characteristics of Perfluorocarbonone Gas on Copper Surface by DFT Calculation

Perfluorocarbonone (C 5 F 10 O) gas has the potential to be used in high-voltage equipment to substitute for SF 6 in the future. It is essential to study the relationship of C 5 F 10 O gas with the surface of metal materials (such as copper) in electrical equipment under strong electric fields. In this work, the model of Cu (111) surface was established, and the adsorption behavior of C 5 F 10 O gas on copper surface under 0.5 V/□ was studied based on density functional theory (DFT). The calculation results show that C 5 F 10 O would be adsorbed on the copper surface, and strong electric field will enhance the adsorption energy and charge transfer, which may improve the adsorption stability and may have a certain effect on the copper surface.