A DFT study of dissolved gases generated of PD in converter transformer oil adsorbed on Ptn (n = 1 – 3) cluster doped MoS2 monolayer

The adsorption performances and sensing properties of Ptn (n = 1–3) MoS2 to three characteristic dissolved gases (CO2, CO, H2) generated of partial discharges in converter transformer oil was analyzed using DFT. The adsorption structure, band structure, charge transfer, adsorption energy, density of states, sensitivity and recovery time were utilized to explore the gas adsorption and sensing mechanism. The results demonstrate Ptn (n = 1–3) cluster greatly enhance weak adsorption ability and sensing property of pure MoS2 for CO2, CO, and H2. This paper provides the theoretical possibility to investigate a novel MoS2-based gas sensor.