The Gas-Sensing Properties of Ag-/Au-Modified Ti3C2Tx (T=O, F, OH) Monolayers for HCHO and C6H6 Gases

Molecules, Год журнала: 2025, Номер 30(2), С. 219 - 219

Опубликована: Янв. 7, 2025

Based on density functional theory calculations, this study analyzed the gas-sensing performance of Ti3C2Tx (T=O, F, OH) monolayers modified with precious metal atoms (Ag and Au) for HCHO C6H6 gas molecules. Firstly, stable structures Ag- Au-single-atom doped surfaces were constructed then molecules set to approach at different initial positions. The most adsorption structure was selected further analysis energy, distance, charge transfer, deformation density, total states, partial states. results show that Ag Au modifications improved Ti3C2O2 C6H6. In comparison, effect modification better than Ag. For Ti3C2F2, doping did not significantly change effects However, decreased Ti3C2(OH)2 HCHO, while there no significant in above serve as a theoretical foundation design new sensors

Язык: Английский

Novel zinc oxide sensor with oxygen vacancies (VO) and interstitial zinc (VZni) self-compensating effect for high aniline response

Materials Science and Engineering B, Год журнала: 2025, Номер 314, С. 118065 - 118065

Опубликована: Фев. 3, 2025

Язык: Английский

Visible photocatalytic oxidation: a tool for sustainable environmental remediation

International Journal of Advances in Engineering Sciences and Applied Mathematics, Год журнала: 2025, Номер unknown

Опубликована: Апрель 10, 2025

Язык: Английский