Coo-Snse Monolayer: A High Potential Candidate for Sf6 Characteristic Decomposition Gas Adsorption and Detection DOI
Jianjun Cao, Mingxiang Wang, Dachang Chen

et al.

Published: Jan. 1, 2023

Insulation performance testing of gas-insulated switchgear (GIS) and treatment SF6 decomposition products under partial discharge are two crucial studies. In this paper, the adsorption behavior sensor properties five characteristic gases (HF, H2S, SO2, SOF2, SO2F2) on intrinsic CoO-doped SnSe monolayers investigated in detail based density-functional theory (DFT). The results showed that behaviors HF, SOF2 SO2F2 were all physisorption (van der Waals force), among which best was SO2 with an energy -0.618eV, is a weak chemisorption. After doping CoO, capacity monolayer for significantly enhanced, energies reached -1.356eV -1.175eV, respectively. addition, conductivity system greatly improved, bandgap changing from 1.129eV to 0eV. microscopic mechanism interaction gas molecules CoO-SnSe has been revealed by band structure (Eg), density states (DOS), Milligan charge analysis (Q) electrostatic potential (ESP). Finally, sensitivity (S) desorption time () systems calculated illustrate macroscopic gas-sensitive system. This work will help explore application sensing detection treatment.

Language: Английский

CoO-SnSe monolayer: A high potential candidate for SF6 characteristic decomposition gas adsorption and detection DOI
Jianjun Cao, Mingxiang Wang, Yiyi Zhang

et al.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Journal Year: 2024, Volume and Issue: 688, P. 133671 - 133671

Published: March 11, 2024

Language: Английский

Citations

19
Adsorption performance of TMn (n = 1-3) clusters decorated GeSe monolayer for SF6 decomposition products DOI
Tianyan Jiang, Shuai Yuan, Biao Deng

et al.

Materials Today Communications, Journal Year: 2024, Volume and Issue: 38, P. 108284 - 108284

Published: Feb. 1, 2024

Language: Английский

Citations

14
Adsorption behavior of CuO doped GeS monolayer on the thermal runaway gas evolution in lithium battery energy storage systems DOI

Jinjie Wang,

Bo Lin,

Ping Wang

et al.

Journal of environmental chemical engineering, Journal Year: 2024, Volume and Issue: 12(3), P. 112550 - 112550

Published: March 22, 2024

Language: Английский

Citations

11
Exploration of SF6 and its decomposed gases in adsorption and sensing (four modified WSe2 monolayers at quantum level) DOI
Pengfei Jia, Jianjun Cao, Mingxiang Wang

et al.

Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: 51, P. 104606 - 104606

Published: June 18, 2024

Language: Английский

Citations

6
Adsorption and sensing performances of greenhouse gases (CO2，CH4，SF6, N2O) on Ni modified GeSe surface DOI

Tianhong Xia,

Zhenhao Wang, Mingxiang Wang

et al.

Materials Today Communications, Journal Year: 2024, Volume and Issue: 40, P. 110033 - 110033

Published: Aug. 1, 2024

Language: Английский

Citations

3
Coo-Snse Monolayer: A High Potential Candidate for Sf6 Characteristic Decomposition Gas Adsorption and Detection DOI
Jianjun Cao, Mingxiang Wang, Dachang Chen

et al.

Published: Jan. 1, 2023

Insulation performance testing of gas-insulated switchgear (GIS) and treatment SF6 decomposition products under partial discharge are two crucial studies. In this paper, the adsorption behavior sensor properties five characteristic gases (HF, H2S, SO2, SOF2, SO2F2) on intrinsic CoO-doped SnSe monolayers investigated in detail based density-functional theory (DFT). The results showed that behaviors HF, SOF2 SO2F2 were all physisorption (van der Waals force), among which best was SO2 with an energy -0.618eV, is a weak chemisorption. After doping CoO, capacity monolayer for significantly enhanced, energies reached -1.356eV -1.175eV, respectively. addition, conductivity system greatly improved, bandgap changing from 1.129eV to 0eV. microscopic mechanism interaction gas molecules CoO-SnSe has been revealed by band structure (Eg), density states (DOS), Milligan charge analysis (Q) electrostatic potential (ESP). Finally, sensitivity (S) desorption time () systems calculated illustrate macroscopic gas-sensitive system. This work will help explore application sensing detection treatment.

Language: Английский

Citations

1