1. Highly sensitive and selective gas sensors based on nanoporous CN monolayer for reusable detection of NO, H2S and NH3: A first-principles study.
- Author
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Yong, Yongliang, Zhang, Wenjun, Hou, Qihua, Gao, Ruilin, Yuan, Xiaobo, Hu, Song, and Kuang, Yanmin
- Subjects
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MONOMOLECULAR films , *GAS detectors , *ELECTRON work function , *PHYSISORPTION - Abstract
[Display omitted] • Adsorption and electronic properties of gases on nanoporous CN monolayer were studied. • NO, SO 2 , H 2 S, and NH 3 molecules are weakly chemisorbed on the monolayer. • Adsorption of NO, H 2 S and NH 3 efficiently tunes electronic properties of CN monolayer. • CN monolayer has high sensitivity and selectivity to NO, H 2 S and NH 3 with moderate recovery time. • CN monolayer as a good candidate for NO, H 2 S, NH 3 gas sensors at room temperature. To explore the possibility of the nanoporous CN (p-CN) monolayers as high-performance gas sensors, the adsorption, electronic properties and gas-sensing performance of various gases on the p-CN monolayers have been studied by first-principles methods. Only NO, SO 2 , H 2 S and NH 3 have weak chemisorption on the monolayer, which and the physical adsorption of NO 2 and C 2 H 4 changed efficiently the electronic properties and work function of p-CN monolayer. The p-CN monolayer towards NO, NH 3 , and H 2 S gases has comparatively high sensitivity, while has quite low sensitivity towards other gases. The characteristics on the I-V curves and work function can effectively distinguish various gases. The recovery time for NO, NH 3 , and H 2 S is about 4.1 s, 0.27 s, and 0.018 s at 300 K, respectively, which is fairly moderate for the reuse of the CN-based sensor for NO, NH 3 , and H 2 S detection. However, the over-short (or over-long) recovery time for NO 2 and C 2 H 4 (<10−6 s) (or SO 2 , c. 35 min) gravely hinders the p-CN-based gas sensors for these gases monitoring. Therefore, the p-CN monolayers as reusable gas sensors have high sensitivity and selectivity at room temperature for NO, H 2 S and NH 3 detection. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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