Theoretical Study of the Compatibility between Environmentally Friendly Insulation Gas CF3SO2F and Silver, Zinc, and Zinc Oxide Materials in Gas-Insulated Equipment DOI
Rong Han, Xuhao Wan, Wei Yu

и другие.

Journal of Physics D Applied Physics, Год журнала: 2024, Номер 57(38), С. 385301 - 385301

Опубликована: Июнь 27, 2024

Abstract Exploring the gas-solid compatibility between insulating gas and solids materials used in electrical equipment is of great significance for determining long-term behavior trifluoromethanesulonyl fluoride (CF 3 SO 2 F). The CF F its decomposition products with Ag, Zn, ZnO common surfaces has been assessed based on first-principles calculations, SF 6 as control group. excellent solid by analyzing adsorption configurations, energies, charge transfer, height, density states, ab initio molecular dynamics (AIMD) results. external electric fields do not affect surfaces. Besides, Ag(111) surface exhibits fine all benefitting from low energy. Originating existence three-center-four-electron (3c4e) π bond atoms strong electronegativity , poor Ag(110), (100), Zn(001) surface. COF HF gases may accelerate failure due to strength ZnO(100) (110) results provide theoretical guidance engineering application performance evaluation F.

Язык: Английский

MnN4 embedded zeolite-templated carbon for methylamine and trimethylamine sensing: Insights from DFT study DOI
Yuanchao Li,

Cuijuan Jiang,

Xiliang Yan

и другие.

Journal of Molecular Liquids, Год журнала: 2024, Номер 397, С. 124090 - 124090

Опубликована: Янв. 24, 2024

Язык: Английский

Процитировано

2

Theoretical study of trimethylamine adsorption on the linear and cyclic polymers and the effect of pore size DOI

Jiyun Cao,

Wei Tan, Xiliang Yan

и другие.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Год журнала: 2024, Номер 686, С. 133433 - 133433

Опубликована: Фев. 8, 2024

Язык: Английский

Процитировано

2

Metal-enhanced Carbon-nitrogen Material for Selective Detection of Hazardous Gases: Insights from Interface Electronic States DOI
Mingyang Gu, Lin Tao, Davoud Dastan

и другие.

Surfaces and Interfaces, Год журнала: 2024, Номер 53, С. 105097 - 105097

Опубликована: Сен. 12, 2024

Язык: Английский

Процитировано

2

Adsorption and gas sensing properties of Cr and Mo modified TaS2 for CF3SO2F decomposition products DOI

Chengjiang Wang,

Feiyang Xie,

Xiangjia Liu

и другие.

Computational and Theoretical Chemistry, Год журнала: 2024, Номер 1240, С. 114838 - 114838

Опубликована: Авг. 26, 2024

Язык: Английский

Процитировано

1

Theoretical Study of the Compatibility between Environmentally Friendly Insulation Gas CF3SO2F and Silver, Zinc, and Zinc Oxide Materials in Gas-Insulated Equipment DOI
Rong Han, Xuhao Wan, Wei Yu

и другие.

Journal of Physics D Applied Physics, Год журнала: 2024, Номер 57(38), С. 385301 - 385301

Опубликована: Июнь 27, 2024

Abstract Exploring the gas-solid compatibility between insulating gas and solids materials used in electrical equipment is of great significance for determining long-term behavior trifluoromethanesulonyl fluoride (CF 3 SO 2 F). The CF F its decomposition products with Ag, Zn, ZnO common surfaces has been assessed based on first-principles calculations, SF 6 as control group. excellent solid by analyzing adsorption configurations, energies, charge transfer, height, density states, ab initio molecular dynamics (AIMD) results. external electric fields do not affect surfaces. Besides, Ag(111) surface exhibits fine all benefitting from low energy. Originating existence three-center-four-electron (3c4e) π bond atoms strong electronegativity , poor Ag(110), (100), Zn(001) surface. COF HF gases may accelerate failure due to strength ZnO(100) (110) results provide theoretical guidance engineering application performance evaluation F.

Язык: Английский

Процитировано

0