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Regarding recent attempts for monitoring dissolved gases in oil transformers, in this paper, novel green phosphorene (GP), a new type of two-dimensional gas sensitive material was modified by transition metal decoration. We applied first-principles calculations based on Density functional theory and investigated the structures and electronic properties of H 2 , CH 4 , and C 2 H 2  (dissolved gases) molecules adsorbed on the pristine, and metal decorated (Pt, and Pd) GP monolayer to understand its performance as a sensor. This analysis indicated that Pt-GP could be a satisfying material for C 2 H 2  sensing at specific conditions, while it is unsuitable for detection of CH 4 , and H 2  due to the weak interaction and short recovery time. The adsorption energy (E ad)  of C 2 H 2  on Pd-, Pt-GP systems is −1.18, and −1.84 eV, respectively, and 4, and 2 times more electrons were transferred from the C 2 H 2  molecule to the systems, respectively in comparison with the pristine GP. Moreover, Pd-GP has a recovery time of 9.68 s under visible light at 350 K indicating that it is suitable for reusability, and it has a good sensitivity of 65.9% toward C 2 H 2  molecule. Our results showed that the metal-decorated GP sensors are excellent candidates for analyzing dissolved gases in oil-based transformers.

Novel green phosphorene as a superior gas sensor for dissolved gas analysis in oil transformers: using DFT method