A novel SF₆ alternative gas discovered by high-throughput molecular design and screening

Sulfur hexafluoride is widely used in the power industry due to its superior insulating and arc-extinguishing properties. However, its greenhouse effect is extremely strong, which presents a significant challenge for the industry. Consequently, the replacement of SF₆ is a necessity for reducing greenhouse gas emissions in the power industry. The paper presents a novel approach, materials genome engineering, using high-throughput molecular design to generate thousands of potential gas molecules. This approach expands the chemical space that can be screened and employs an established high-throughput screening and prediction model for calculating various properties of gases. The paper subsequently identifies 15 potential SF₆ alternative gases that have the potential to be developed further. Among the 15 candidate gases, bis(trifluoromethyl) sulfide (CF₃SCF₃) exhibits particularly promising properties. Its insulation strength is approximately 1.87 times that of SF₆, its boiling point is approximately -22°C, and its GWP is approximately 2.8. This paper serves to advance research on new environmentally friendly insulating gases, thereby stimulating innovation and green reform in gas insulation technology.