Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 163400 - 163400
Опубликована: Май 1, 2025
Язык: Английский
Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 163400 - 163400
Опубликована: Май 1, 2025
Язык: Английский
ACS Applied Electronic Materials, Год журнала: 2025, Номер unknown
Опубликована: Март 16, 2025
Язык: Английский
Процитировано
0ACS Sensors, Год журнала: 2025, Номер unknown
Опубликована: Март 24, 2025
Single-walled carbon nanotubes (SWCNTs) are a promising candidate material for detecting harmful gases due to their unique advanced character, but gas-sensing properties still need be improved. With the aim of exploring more effective modulation ways improve behavior SWCNTs, surface doping effects sodium (Na) atom, typical n-type dopant, and tetracyanoethylene (TCNE), p-type on electronic sensing (7,3), (6,5), (7,5) SWCNTs NO2, SO2, NO, CO2, H2S, NH3 were examined theoretically with density functional theory (DFT) calculations. It is found that decoration Na/TCNE dopant energetically favorable, enhanced/lowered frontier energy levels. Therefore, energy-level alignment among orbitals gas molecules can regulated effectively. The interfacial charge transfer occurs from occupied valence band maximum (VBM) empty lowest unoccupied molecular orbital (LUMO) much significant than between VBM highest (HOMO) molecules. As result, gas-adsorbed cases considered here, carrier concentration increments level (i.e., internal mobility Schottky barrier contact neighboring materials within single-walled nanotube field-effect transistors (SWCNT-FETs)) changed significantly NO2- SO2-adsorbed pristine NO2-, SO2-, NO-adsorbed NO2-adsorbed SWCNTs. Our study highlights key role controlled character dopants play in regulating adsorption selection behaviors practical sensor applications.
Язык: Английский
Процитировано
0Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 162153 - 162153
Опубликована: Апрель 1, 2025
Язык: Английский
Процитировано
0Journal of Materiomics, Год журнала: 2025, Номер unknown, С. 101062 - 101062
Опубликована: Апрель 1, 2025
Язык: Английский
Процитировано
0Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 163400 - 163400
Опубликована: Май 1, 2025
Язык: Английский
Процитировано
0