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

The adsorption capacity and gas sensing mechanism of Ru 3 -modified SnS 2 monolayer toward four representative dissolved gases in insulating oil (H 2 , CO, C 2 H 2 and C 2 H 4) was investigated based on first-principles calculations. It can be found that Ru 3 -modified SnS 2 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 Ru 3 -modified SnS 2 monolayer is Ru atom adsorbed above the T Sn site of pristine SnS2 monolayer. • Ru 3 -modified SnS 2 exhibits significantly better conductivity compared to the pristine SnS 2. • Results of desorption time further demonstrate the excellent application prospect of Ru 3 -SnS 2 monolayer in monitoring representative dissolved gases in insulating oil such as H 2 , CO, C 2 H 2 and C 2 H 4. 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 (H 2 , CO, C 2 H 2 , C 2 H 4) by Ru 3 -SnS 2. The outcomes indicate that the Ru 3 -SnS 2 has strong adsorption effect for CO, C 2 H 2 and C 2 H 4 , but weak adsorption effect for H 2. This study provides theoretical direction for exploring the application prospect of Ru 3 -SnS 2 in the operation condition evaluation of oil immersed transformer. [ABSTRACT FROM AUTHOR]