Abstract
• Ag n (n = 1–3) cluster doped PtO 2 monolayer is studied. • The electronic property of Ag n (n = 1–3)-PtO 2 monolayer upon the CH 4 , CO, C 2 H 2 , and C 2 H 4 are displayed and analyzed. • The sensing property and recovery time for gas detections are analyzed. The adsorption performance and sensing properties of Ag n (n = 1–3) cluster PtO 2 to four characteristic dissolved gases CH 4 , C 2 H 2 , C 2 H 4 , 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 Ag n (n = 1–3) cluster greatly enhance poor adsorption capacity and sensing property of pure PtO 2 for CH 4 , C 2 H 2 , C 2 H 4 , and CO. This paper provides the theoretical guidance to investigate a novel PtO 2 -based gas sensor.
Published Version
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