The online monitoring of transformer insulation is crucial for ensuring power system stability and safety. Dissolved gas analysis (DGA), employing highly sensitive gas sensors to detect dissolved gas in transformer oil, offers a promising means to assess equipment insulation performance. Based on density functional theory (DFT), platinum modification of a WTe2 monolayer was studied and the adsorption behavior of CO and C2H4 on the Pt-WTe2 monolayer was simulated. The results showed that the Pt atom could be firmly anchored to the W atoms in the WTe2 monolayer, with a binding energy of −3.12 eV. The Pt-WTe2 monolayer showed a trend toward chemical adsorption to CO and C2H4 with adsorption energies of −2.46 and −1.88 eV, respectively, highlighting a stronger ability of Pt-WTe2 to adsorb CO compared with C2H4. Analyses of the band structure (BS) and density of states (DOS) revealed altered electronic properties in the Pt-WTe2 monolayer after gas adsorption. The bandgap decreased to 1.082 eV in the CO system and 1.084 eV in the C2H4 system, indicating a stronger interaction of Pt-WTe2 with CO, corroborated by the analysis of DOS. Moreover, the observed change in work function (WF) was more significant in CO systems, suggesting the potential of Pt-WTe2 as a WF-based gas sensor for CO detection. This study unveils the gas-sensing potential of the Pt-WTe2 monolayer for transformer status evaluation, paving the way for the development of gas sensor preparation for DGA.
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