Enhancement of Adsorption Performance of Gases in Oil on a Cr₃-Modified SnS₂ Monolayer Based on the First Principles

Abstract

Dissolved gas analysis (DGA) is the most commonly used transformer fault diagnosis technology at present. In this paper, according to the method of first principles of density function theory (DFT), the gas-sensitive mechanisms of four oilsoluble characteristic gases (H 2 , CO, C 2 H 2 , C 2 H 4 ) on intrinsic SnS 2 and Cr 3 −SnS 2 were studied. The adsorption energy and electron transfer were calculated, and the density of states, energy bands, and recovery times were analyzed. It was concluded that H 2 and C 2 H 4 were physisorbed on the Cr 3 −SnS 2 monolayer, while CO and C 2 H 2 were chemisorbed. It is believed that the Cr 3 −SnS 2 material can be used in gas sensing for CO and C 2 H 2 . Cr 3 −SnS 2 is expected to serve as a gas detector for the detection of CO with both a good response and reusability. Therefore, Cr 3 −SnS 2 has very promising applications in the evaluation of the operation of oil-immersed transformers. This study will provide some help and inspiration for the development of the Cr 3 −SnS 2 monolayer in gas-sensitive materials.

Cu- and Al-Decorated Monolayer TiSe2 for Enhanced Gas Detection Sensitivity: A DFT Study

“… However, the potential application of monolayer TiSe 2 as a gas sensing material has not been explored. And it has been shown that defect, doping, , adsorption, , heterojunction, , and applied strain can enhance the surface properties of the material, for example, the use of nanosheets with defective tin selenium to improve sensitivity to the adsorption of SO 2 molecules . Doping with transition metals in GaN nanosheets or MoTe 2 monolayer has also been shown capable of improving sensitivity toward adsorbing NO 2 , and modification with metals in silicon carbide nanosheets or phosphorene to improve the sensitivity to the adsorption of NH 3 molecules. , For the conventional doping and modification of materials, noble metals are generally chosen.…”