| Autor: |
Zhang, Keyong, Yao, Wei, Jin, Yaoke, Jia, Zihao, Wu, Xibo, Dong, Dalei |
| Předmět: |
|
| Zdroj: |
Molecular Physics; Jul2022, Vol. 120 Issue 13, p1-9, 9p |
| Abstrakt: |
This work based on the first-principles theory simulates the Pd-doping behaviour on the SnSSe monolayer and the sensing properties of Pd-doped SnSSe (Pd-SnSSe) monolayer towards two dissolved gas species, namely H2 and C2H2, aiming at exploring its potential as a chemical gas sensor to evaluate the operation status of the on-load tap-changer in the oil-immersed transformers. The Pd atom preferred to be doped on the Se-surface of the SnSSe monolayer with the formation energy (Eform) of 0.18 eV. The Pd-SnSSe monolayer behaves physisorption upon H2 while chemisorption upon C2H2 with Ead calculated as −0.20 and −0.87 eV, respectively. The BS results and the recovery property analysis reveal the strong potential of Pd-SnSSe monolayer as a C2H2 sensor with high sensitivity of −85.5% and good reusability with a recovery time of 510.1 s at room temperature. On the other hand, it is not suitable to explore the Pd-SnSSe monolayer as a reusable resistance-type sensor for H2 detection, nor as an optical sensor for H2 and C2H2 detections. This work gives a new insight into the Janus SnSSe monolayer for gas sensing application, which is beneficial for further exploration of SnSSe-based materials to be applied in the field of electrical engineering. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
