Pt-Bimetal decorated MoS₂ monolayer as sensing material for detecting dissolved gases in transformer oil: a DFT study

Abstract This investigation utilizes density functional theory to explore the potential of Pt-Bimetal decorated MoS 2 monolayer for detecting dissolved gases, specifically CO, C 2 H 2 , and C 2 H 4 . The research reveals that the bond is formed between Pt and defect MoS 2 , exhibiting a high binding energy of −11.716 eV, it exhibits excellent thermodynamic stability, dynamic stability performance and excellent moisture resistance. Between the Pt 2 -MoS 2 and the CO, C 2 H 2 , and C 2 H 4 are classified as chemisorption, with measured adsorption energies of −1.575 eV, −1.411 eV, and −1.628 eV, respectively. Upon exposure to CO, C 2 H 2 , and C 2 H 4 , the Pt 2 -MoS 2 monolayer exhibits significant sensing responses of −60.2%, 68.4%, and over 100%, respectively, indicating its promise as a resistance-based sensor. Compared to other materials, Pt 2 -MoS 2 has better adsorption performance and potential as a recyclable soluble gas.