Adsorption and gas sensing of dissolved gases in transformer oil onto Ru3-modified SnS2: A DFT study

• Published in: Applied surface science 2023-04, Vol.615, p.156445, Article 156445
• Main Authors: Peng, Ruochen, Zeng, Wen, Zhou, Qu
• Format: Article
• Language: English
• Subjects: DFT calculations; Dissolved gases in oil; Gas sensing and adsorption; Ru3-SnS2
• ISSN: 0169-4332; 1873-5584
• DOI: 10.1016/j.apsusc.2023.156445

The adsorption capacity and gas sensing mechanism of Ru3-modified SnS2 monolayer toward four representative dissolved gases in insulating oil (H2, CO, C2H2 and C2H4) was investigated based on first-principles calculations. It can be found that Ru3-modified SnS2 monolayer exhibits excellent gas sensing application prospect as an innovative gas detector to dissolved gases in insulating oil due to its outstanding adsorption properties. [Display omitted] •The optimal structure of Ru3-modified SnS2 monolayer is Ru atom adsorbed above the TSn site of pristine SnS2 monolayer.•Ru3-modified SnS2 exhibits significantly better conductivity compared to the pristine SnS2.•Results of desorption time further demonstrate the excellent application prospect of Ru3-SnS2 monolayer in monitoring representative dissolved gases in insulating oil such as H2, CO, C2H2 and C2H4. Using gas sensitive materials to monitor the dissolved gas in transformer oil online can effectively evaluate the working state of oil immersed transformer. In this study, density functional theory (DFT) was adopted to analyze the adsorption energy, charge transfer, density of states, band structure and desorption so as to understand the adsorption and sensing behavior of four representative dissolved gases in insulating oil (H2, CO, C2H2, C2H4) by Ru3-SnS2. The outcomes indicate that the Ru3-SnS2 has strong adsorption effect for CO, C2H2 and C2H4, but weak adsorption effect for H2. This study provides theoretical direction for exploring the application prospect of Ru3-SnS2 in the operation condition evaluation of oil immersed transformer.