The adsorption of CF3SO2F gas on the surface of Al(111) and its decomposition mechanism were studied based on density functional theory. The adsorption energy, charge transfer, differential charge density, electron localization function (ELF), and state density of CF3SO2F gas on the surface of Al(111) were calculated, and the compatibility between CF3SO2F gas and Al(111) surface was analyzed theoretically. Further, a theoretical calculation model of the decomposition path of CF3SO2F gas was established to calculate the free energy of CF3SO2F gas under different decomposition paths, and the main decomposition products of CF3SO2F gas were obtained through transition state analysis. The results show that CF3SO2F gas has good compatibility with Al(111) surface under normal operating conditions, and their interaction is physical adsorption. The typical decomposition gas products of CF3SO2F gas mainly include CF4 and SO2. The research results can provide theoretical reference for evaluating the gas-solid compatibility and stability of the new environmentally friendly insulating gas CF3SO2F.
| 科 Family | 属数 Number of genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) | 属 Genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) |
|---|---|---|---|---|---|---|
| 鹅膏菌科Amanitaceae | 2 | 11 | 5.26 | 鹅膏菌属 Amanita | 10 | 4.78 |
| 小菇科 Mycenaceae | 2 | 12 | 5.74 | 丝盖伞属 Inocybe | 5 | 2.39 |
| 多孔菌科 Polyporaceae | 8 | 14 | 6.70 | 蜡蘑属 Laccaria | 5 | 2.39 |
| 红菇科 Russulaceae | 3 | 23 | 11.00 | 小皮伞属 Marasmius | 6 | 2.87 |
| 小菇属 Mycena | 11 | 5.26 | ||||
| 光柄菇属 Pluteus | 5 | 2.39 | ||||
| 红菇属 Russula | 17 | 8.13 | ||||
| 栓菌属 Trametes | 5 | 2.39 |