Electric field controlled CO2 capture and activation on BC6N monolayers: A first-principles study DOI
Jiahui Yu, Chaozheng He, Jinrong Huo

и другие.

Surfaces and Interfaces, Год журнала: 2022, Номер 30, С. 101885 - 101885

Опубликована: Март 16, 2022

Язык: Английский

First-principles study of the monolayer SnSSe for gas sensing applications DOI

Bin Xu,

Cheng Qian,

Linxin Zuo

и другие.

Chemical Physics, Год журнала: 2024, Номер 586, С. 112389 - 112389

Опубликована: Июль 17, 2024

Язык: Английский

Процитировано

5
Sensing properties of SF6 decomposition gas sensor based on Rh doped α-AsP monolayer DOI

Dongyue Wu,

Guilin Chen,

Shuai Dong

и другие.

Computational and Theoretical Chemistry, Год журнала: 2023, Номер 1228, С. 114303 - 114303

Опубликована: Авг. 31, 2023

Язык: Английский

Процитировано

11
Improvement of gas-sensing performance of TO8C monolayers as high-efficient room-temperature NO and NO2 gas sensors induced by electric field DOI Creative Commons

Guodong Li,

Wentao Guo,

Qihua Hou

и другие.

Results in Physics, Год журнала: 2024, Номер 61, С. 107770 - 107770

Опубликована: Май 17, 2024

The gas-sensing application potential of the TO8C monolayer for target gases (NO, NO2, CO, CO2, NH3, CH4, H2O, and H2) was systematically investigated via DFT calculations. Only NO NO2 adsorption can tune electronic properties monolayer. Since weak strength is unfavorable sensor device, E-field modulation applied. Except as enhancement into desired ranges −0.14 ∼ −0.21 V/Å (0.08 0.12 −0.26 −0.29 NO2) makes semiconducting transfer conducting properties, indicating sensitivity towards also effectively improved. However, adsorbed with other were hardly changed by above-mentioned E-fields. When applied E-fields in −0.12 −0.17 (or V/Å), maintained existence humidity, that determinate much favorable TO8C-based to detect without considering whether humidity exists. Our findings reveal monolayers are compelling feasible candidates resistance-type sensors at room temperature under modulation.

Язык: Английский

Процитировано

4
Exploring the adsorption behavior of O-containing VOCs in human breath on a B2N monolayer using DFT simulations DOI

Rezvan Rahimi,

Mohammad Solimannejad

Physical Chemistry Chemical Physics, Год журнала: 2024, Номер unknown

Опубликована: Янв. 1, 2024

The present study results may have significant implications for utilizing B 2 N nanosheets detecting O-containing VOCs in human breath, which could facilitate early disease diagnosis.

Язык: Английский

Процитировано

4
Electric field controlled CO2 capture and activation on BC6N monolayers: A first-principles study DOI
Jiahui Yu, Chaozheng He, Jinrong Huo

и другие.

Surfaces and Interfaces, Год журнала: 2022, Номер 30, С. 101885 - 101885

Опубликована: Март 16, 2022

Язык: Английский

Процитировано

16