High sensitivity gas sensor to detect SF6 decomposition components based on monolayer antimonide phosphorus

We theoretically explored the possibility of monolayer antimonide phosphorus (SbP) detecting SF6 decomposition components based on the first-principles calculations. The calculated results indicate that monolayer SbP exhibits more excellent gas sensing performance to SO2 than to other gas molecules, with the adsorption energy of −0.541 eV and the charge transfer of −0.232 e. In addition, we predict that SbP is suitable for SO2 sensing to detect SF6 decompositions by comparing adsorption energy and charge transfer of different substrates. Therefore, monolayer SbP can be a promising candidate for high sensitivity SO2 sensor to detect SF6 decompositions.