Exploration on the application of copper oxide particles doped janus ZrSSe in detecting dissolved gases in oil-immersed transformers: A DFT study

The safe operation of oil-immersed transformers is the key to the power system, and preventing the harm caused by partial discharge is of great significance. In this study, it is proposed to use copper oxide particles (CuO, (CuO)2) doped with ZrSSe to detect dissolved gases (CO, CO2, C2H4) in transformer oil. Compared with the initial substrate band structure (0.655 eV), CuO and (CuO)2 reduce the band structures to 0.487 eV and 0.133 eV. The adsorption of target gases on initial and modified substrate surfaces is systematically studied using density functional theory. By comparing the adsorption parameters, it can be found that the adsorption capacity of ZrSSe promoted by copper oxide particles to the target gases. The CO2 is weakly physically adsorbed on the two modified substrates. The adsorption capacity is ranked as follows: CO > C2H4 >CO2. In terms of sensing performance, the improvement effect of copper oxide particles on the substrate has also been verified through molecular orbital theory, sensitivity and recovery time. The findings in this article can provide a theoretical basis for the application of ZrSSe in detecting the operating status of transformers and gas sensing. •Copper oxide particles can effectively improve the conductivity of the ZrSSe substrate.•The adsorption of CO and C2H4 on the modified substrate is chemical adsorption.•CuO–ZrSSe and (CuO)2–ZrSSe have application prospects in monitoring the operating status of transformers.