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Keywords = Cr-SnP3 monolayer

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13 pages, 7015 KiB  
Article
Theoretical Study of the Adsorption and Sensing Properties of Cr-Doped SnP3 Monolayer for Dissolved Characteristic Gases in Oil
by Chengjiang Wang, Xiangjia Liu, Feiyang Xie, Xuze Wang and Pengdi Zhang
Materials 2024, 17(19), 4812; https://doi.org/10.3390/ma17194812 - 30 Sep 2024
Cited by 1 | Viewed by 882
Abstract
Dissolved gas analysis (DGA) is a vital method for the online detection of transformer operation state. The adsorption performance of a SnP3 monolayer modified by transition metal Cr regarding six characteristic gases (CO, C2H4, C2H2 [...] Read more.
Dissolved gas analysis (DGA) is a vital method for the online detection of transformer operation state. The adsorption performance of a SnP3 monolayer modified by transition metal Cr regarding six characteristic gases (CO, C2H4, C2H2, CH4, H2, C2H6) dissolved in oil was studied. The study reveals the relevant adsorption and gas-sensing response mechanisms through calculations of the adsorption energy, density of states, differential charge density, energy gap, and recovery time. The results display a considerable increase in the adsorption effect of the Cr-SnP3 monolayer on six gases. The CO, C2H2, and C2H4 gases lead to chemical adsorption, and the CH4, H2, and C2H6 gases lead to physical adsorption. Combined with the recovery time, the Cr-SnP3 monolayer has a strong adsorption effect on CO and C2H2 gases at normal temperatures and even high temperatures, and the adsorption is stable. C2H4 gas can be rapidly desorbed from the Cr-SnP3 monolayer at 398 K. Therefore, the Cr-SnP3 monolayer can be expected to serve as a CO and C2H2 gas adsorbent and a resistive gas sensor for C2H4 gas. This research offers a theoretical foundation for the development of the Cr-SnP3 monolayer in gas-sensitive materials. Full article
(This article belongs to the Section Materials Simulation and Design)
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