Janus MoSSe monolayer: a highly strain-sensitive gas sensing material to detect SF6 decompositions

Abstract Four main SF6 decompositions (H2S, SO2, SOF2 and SO2F2) adsorption on S-layer and Se-layer of the Janus MoSSe monolayer was investigated by first principles calculation in this work. Our calculations implied that both the S-layer and Se-layer of Janus MoSSe are more sensitive and selective to SO2 than other three SF6 decompositions and the Se-layer is more sensitive than the S-layer. Furthermore, it is found that the applied strain can more effectively modulate the sensing performance of Janus MoSSe than that of normal transition metal chalcogenides (TMDs). Our further investigation indicated that the unique interior electric field of Janus MoSSe played an important role in enhancing the modulation effect. In sum, we concluded that the Janus MoSSe monolayer is a highly strain-sensitive gas sensing material to detect SF6 decompositions. Our work can help avoid harm from hazardous SF6 decompositions.