Detecting the composition
and concentration of SF6 decomposition
products is an effective method to evaluate the state of gas-insulated
switchgear. Based on density functional theory, in this work we investigated
the adsorption properties of four typical SF6 decomposition
products (H2S, SO2, SOF2, SO2F2) on an SnS2 S vacancy structure (SnS2-Sv) and SnS2 edge structure (SnS2-edge). By calculating the adsorption energy, charge transfer,
and comparing the density of states (DOS) of each system before and
after the adsorption of gas molecules, the physical and chemical interactions
between SnS2 with different structures and gas molecules
were investigated. The results show that SnS2-Sv has the largest adsorption energy for SO2 and has obvious
chemical interactions. The S vacancy can effectively capture an O
atom in SO2, causing SO2 to firmly adsorb in
the S vacancy. In addition, the adsorption of the four gases on the
SnS2-edge is physical adsorption, in which the 50% S edge
structure has the largest adsorption energy for H2S, reaching
−0.52 eV, and there is also a large charge transfer between
the 50% S edge structure and H2S. Although the adsorption
energy of SnS2-edge to the four gases is smaller than SnS2-Sv, it is still greater than the pristine SnS2. This paper explores the adsorption properties of SnS2-Sv and SnS2-edge for SF6 decomposition products, providing insights for the development of
SnS2-based gas sensors.
Mo2C is a two-dimensional material with high electrical conductivity, low power consumption, and catalytic effect, which has promising applications in the field of microfluidic gas detection. First principles were used to study the adsorption characteristics of Mo2C monolayer on four typical decomposition gases of SF6 (H2S, SO2, SOF2, and SO2F2), and to explore the feasibility of its application in the detection of SF6 decomposition components. The results showed that Mo2C chemisorbed all four gases, and the adsorption capacity was H2S < SO2 < SOF2 < SO2F2. The adsorption mechanism of Mo2C as a microfluidic sensor was analyzed in combination with its charge-density difference and density of states. On the other hand, the different work-function change trends after adsorbing gases provide the possibility for Mo2C to selectively detect gases as a low-power field-effect transistor sensor. All content can be used as theoretical guidance in the realization of Mo2C as a gas-sensitive material for the detection of SF6 decomposition components.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.