RESUMO
The sensing properties of monolayer arsenic phosphorus (AsP) for the adsorption of SF6, H2O, O2, and SF6 decomposition gases (SO2 and H2S) are theoretically investigated by the first-principle calculations. We calculate the adsorption energy, equilibrium distance, Mulliken charge transfer, and electron localization function (ELF) to explore whether AsP is suitable for detecting SF6 decomposition gases. By comparing the adsorption performance of SF6, H2O, O2, and H2S gases, we have revealed that the SO2 gas molecules could form stable chemisorption with AsP monolayer. The results demonstrate that AsP is highly sensitive and selective to SO2 gas molecules with robust adsorption energy and apparent charge transfer. Furthermore, the current-voltage (I-V) curves reveal that only the adsorption of SO2 can largely modify the resistance of AsP. Our results show that gas sensors based on AsP monolayer could be better than that of black phosphorene (BP) to diagnose the state of online gas-insulated switchgear (GIS).