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This study explores the sensing capabilities of Pt-decorated Janus SnSSe monolayers toward SF 6 decomposition gases (H 2 S, SO 2, and SO 2 F 2 ) using density functional theory (DFT). Findings reveal that the introduction of Pt atoms onto either the S- or Se-terminated surface of the SnSSe monolayer markedly improves both the adsorption strength and structural integrity of the material. Adsorption behavior and underlying sensing mechanisms across different gas-substrate systems were comprehensively investigated by examining adsorption energy, adsorption distance, charge density, density of states, orbital interaction, recovery time, sensitivity, and work function. The results indicate that the pristine SnSSe monolayer exhibits only physical adsorption and is unsuitable for detecting any of the three target gases. In contrast, Pt-modified SnSSe demonstrates significantly enhanced gas adsorption. On the S-surface, adsorption energies for H 2 S, SO 2, and SO 2 F 2 were −0.981 eV, −0.751 eV, and −0.026 eV, respectively, while on the Se-surface, the values were −0.954 eV, −0.776 eV, and −0.026 eV. At the optimal operating temperature, the recovery time for the Pt-SnSSe(S)/H 2 S system is 64.67 s, while the recovery times for Pt-SnSSe(Se) toward H 2 S and SO 2 are 26.75 and 13.02 s, respectively. Both modified surfaces exhibited poor adsorption performance toward SO 2 F 2 . This study offers theoretical insights for designing low-power, high-sensitivity, and fast-response gas sensors used to detect SF 6 decomposition products in gas-insulated switchgear (GIS).
Gao et al. (Thu,) studied this question.