Dissolved Gas Analysis in Transformer Oil Using Ni Catalyst Decorated PtSe₂ Monolayer: A DFT Study

Abstract

In this paper, the first-principles theory is used to explore the adsorption behavior of Ni catalyst decorated PtSe2 (Ni-PtSe2) monolayer toward the dissolved gas in transformer oil, namely CO and C2H2. Some Ni atoms from the catalyst are trapped in the Se vacancy on the pure PtSe2 surface. The geometry configurations of Ni-PtSe2 monolayer before and after gas adsorption, the electronic property of Ni-PtSe2 monolayer upon gas adsorption, and the sensibility and recovery property of Ni-PtSe2 monolayer are explored in this theoretical work. Through the simulation, the Ead of CO and C2H2 gas adsorption systems are calculated as −1.583 eV and −1.319 eV, respectively, both identified as chemisorption and implying the stronger performance of the Ni-PtSe2 monolayer on CO molecule, which is further supported by the DOS and BS analysis. According to the formula, the sensitivity of Ni-PtSe2 monolayer towards CO and C2H2 detection can reach up to 96.74% and 99.91% at room temperature (298 K), respectively, which manifests the favorable sensing property of these gases as a chemical resistance-type sensor. Recovery behavior indicates that the Ni-PtSe2 monolayer is a satisfied gas scavenger upon the noxious gas dissolved in transformer oil, but its recovery time at room temperature is not satisfactory. To sum up, we monitor the status of the transformer to guarantee the stable operation of the power system through the Ni-PtSe2 monolayer upon the detection of CO and C2H2, which may realize related applications, and provide the basis and reference to cutting-edge research in the field of electricity in the future.

Keywords

• Ni-PtSe₂ monolayer
• first-principles theory
• dissolved gas in transformer oil
• gas scavenger