Strong Adsorption Capacity for SF₆-Leaking Gas With NiO-Doped and Ag₂O-Doped SnSe Monolayer

Sulfur hexafluoride (SF $_{{6}})$ gas is widely used in gas insulation switchgear (GIS) systems of power systems due to its efficient arc extinguishing characteristics. However, long-term equipment operation or electrical faults may cause SF6 insulating gas leakage, leading to environmental pollution. Although there are numerous 2-D materials for detecting SF6 decomposition, few studies on SF6 leakage gas exits. This article proposes an SF6 adsorbent material based on a SnSe monolayer doped with NiO and Ag $_{{2}}\text{O}$ . Theoretical calculations demonstrate that the SnSe monolayer doped with NiO and Ag $_{{2}}\text{O}$ exhibits extremely strong adsorption performance for SF6 gas, with adsorption energies of −2.824 and −2.812 eV, respectively, which is an 890.88% enhancement compared to pure SnSe monolayer. Furthermore, the adsorption energy of SF6 gas in water solvent exceeds −3.5 eV, indicating that water can serve as an effective enhancer of SF6 gas adsorption. This study provides a new theoretical basis and method for detecting and adsorbing SF6 leaking gas.