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As the field of 2D materials rapidly evolves, substances such as graphene, metal dichalcogenides, MXenes, and MBenes have garnered extensive attention from scholars in the gas sensing domain due to their unique and superior properties. Based on first-principles calculations, this work explored the adsorption characteristics of both intrinsic and silver (Ag) doped tin disulfide (SnS 2 ) toward the decomposition components of the insulating medium C 4 F 7 N (namely, CF 4 , C 3 F 6 , and COF 2 ), encompassing the adsorption energy, charge transfer, density of state (DOS), band structure, and adsorption stability. The results indicated that Ag-doped SnS 2 exhibited an effective and stable adsorption for C 3 F 6 and COF 2 , whereas its adsorption for CF 4 was comparatively weaker. Additionally, the potential for Ag-SnS 2 in detecting C 3 F 6 was highlighted, inferred from the contributions of the band gap variations. This research provides theoretical guidance for the application of Ag-SnS 2 as a sensing material in assessing the operational status of gas-insulated equipment., Competing Interests: The authors declare no competing financial interest., (© 2024 The Authors. Published by American Chemical Society.)

The C 4 F 7 N/CO 2 /O 2 gas mixture received a great deal of attention for its potential use in eco-friendly gas-insulated equipment (GIE). The evaluation of the compatibility between C 4 F 7 N/CO 2 /O 2 and sealing rubber is necessary and significant considering the high working pressure (0.14-0.6 MPa) of GIE. Herein, we explored the compatibility between C 4 F 7 N/CO 2 /O 2 and fluororubber (FKM) and nitrile butadiene rubber (NBR) for the first time by analyzing the gas components, rubber morphology, elemental composition, and mechanical properties. The interaction mechanism of the gas-rubber interface was further investigated based on the density functional theory. We found that C 4 F 7 N/CO 2 /O 2 is compatible with FKM and NBR at 85 °C, while the surface morphology changed at 100 °C, with white granular and agglomerated lumps appearing on FKM and multi-layer flakes being generated on NBR. The accumulation of the fluorine element occurred, and the compressive mechanical properties of NBR deteriorated after the gas-solid rubber interaction. Overall, the compatibility between FKM and C 4 F 7 N/CO 2 /O 2 is superior, which could be employed as the sealing material for C 4 F 7 N-based GIE., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)