Theoretical study of dissolved gas molecules in transformer oil adsorbed on Agn (n = 1–3) cluster doped PtO2 monolayer

Abstract

The adsorption performance and sensing properties of Agn (n = 1–3) cluster PtO2 to four characteristic dissolved gases CH4, C2H2, C2H4, and CO in transformer oil was analyzed depend on DFT calculation. The adsorption structure, band structure, charge transfer, adsorption energy, density of states, work function, molecular orbital and recovery time were employed to explore the gas adsorption and sensing mechanism. The results exhibit Agn (n = 1–3) cluster greatly enhance poor adsorption capacity and sensing property of pure PtO2 for CH4, C2H2, C2H4, and CO. This paper provides the theoretical guidance to investigate a novel PtO2-based gas sensor.