A Novel Function Fitting Approach Achieves Tunable Adsorption Properties of CuO-Doped SnSe Monolayer for SF6 Leakage Gas

Sulfur hexafluoride (SF6) is widely employed in electrical power systems due to its superior insulating properties. However, prolonged use or equipment failure may cause SF6 gas leaks, leading to environmental contamination. While numerous 2-D materials have been proposed by academics for detecting SF6 decomposition gas, investigations into SF6 gas adsorption and the ability to modulate adsorption performance have been relatively limited. Given the strong adsorption of SF6 gas and the tunability of adsorption performance, this article proposes a methodology for achieving distinct adsorption properties by configuring solvents with varying dielectric constants based on CuO-doped SnSe (SnSe-CuO) monolayer. The SnSe-CuO monolayer is used as an adsorbent for SF6 leakage in solvents with different relative dielectric constants. The methodology employs computational analysis to obtain the solvent dielectric constant corresponding to the required adsorption energy from the fit function, which can serve as a solid theoretical basis for future chemisorption studies.