Theoretical Study of the Adsorption and Sensing Properties of Cr-Doped SnP3 Monolayer for Dissolved Characteristic Gases in Oil DOI Creative Commons
Chengjiang Wang,

Xiangjia Liu,

Feiyang Xie

et al.

Materials, Journal Year: 2024, Volume and Issue: 17(19), P. 4812 - 4812

Published: Sept. 30, 2024

Dissolved gas analysis (DGA) is a vital method for the online detection of transformer operation state. The adsorption performance SnP3 monolayer modified by transition metal Cr regarding six characteristic gases (CO, C2H4, C2H2, CH4, H2, C2H6) dissolved in oil was studied. study reveals relevant and gas-sensing response mechanisms through calculations energy, density states, differential charge density, energy gap, recovery time. results display considerable increase effect Cr-SnP3 on gases. CO, C2H4 lead to chemical adsorption, C2H6 physical adsorption. Combined with time, has strong CO C2H2 at normal temperatures even high temperatures, stable. can be rapidly desorbed from 398 K. Therefore, expected serve as adsorbent resistive sensor gas. This research offers theoretical foundation development gas-sensitive materials.

Language: Английский

Probing the structural evolution, electronic and vibrational properties of neutral and anionic potassium-doped magnesium clusters DOI Creative Commons

Kai Ge Cheng,

Dian Xing Song,

Hai Hou

et al.

Results in Physics, Journal Year: 2024, Volume and Issue: unknown, P. 107954 - 107954

Published: Sept. 1, 2024

Language: Английский

Citations

6
Hydrogen storage in Ti doped 4-6-8 biphenylene (Ti.C468): Insights from density functional theory DOI
Chaithanya Purushottam Bhat, Debashis Bandyopadhyay

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 79, P. 377 - 393

Published: July 8, 2024

Language: Английский

Citations

4
A density functional theory investigation of the adsorption of CH4, CO, CO2, H2, H2O, N2, NH3, NO, and NO2 on Mg20 and Mg19Zn clusters DOI
Mohsen Doust Mohammadi, Karwan Wasman Qadir, Hewa Y. Abdullah

et al.

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115227 - 115227

Published: April 1, 2025

Language: Английский

Citations

0
Theoretical Study of the Adsorption and Sensing Properties of Cr-Doped SnP3 Monolayer for Dissolved Characteristic Gases in Oil DOI Creative Commons
Chengjiang Wang,

Xiangjia Liu,

Feiyang Xie

et al.

Materials, Journal Year: 2024, Volume and Issue: 17(19), P. 4812 - 4812

Published: Sept. 30, 2024

Dissolved gas analysis (DGA) is a vital method for the online detection of transformer operation state. The adsorption performance SnP3 monolayer modified by transition metal Cr regarding six characteristic gases (CO, C2H4, C2H2, CH4, H2, C2H6) dissolved in oil was studied. study reveals relevant and gas-sensing response mechanisms through calculations energy, density states, differential charge density, energy gap, recovery time. results display considerable increase effect Cr-SnP3 on gases. CO, C2H4 lead to chemical adsorption, C2H6 physical adsorption. Combined with time, has strong CO C2H2 at normal temperatures even high temperatures, stable. can be rapidly desorbed from 398 K. Therefore, expected serve as adsorbent resistive sensor gas. This research offers theoretical foundation development gas-sensitive materials.

Language: Английский

Citations

0