Theoretical Study of the Adsorption and Sensing Properties of Cr-Doped SnP3 Monolayer for Dissolved Characteristic Gases in Oil

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.