Molecular Electrocatalysts in Lithium‐Sulfur Batteries

Abstract Lithium‐sulfur (Li−S) batteries face challenges due to the sluggish reaction kinetics of sulfur species, which reduces sulfur utilization and thus lowers performance. Molecular electrocatalysts, with their clear and adequately exposed active sites, offer a reliable way to enhance reaction kinetics in lithium‐sulfur batteries. This review elaborates on the reaction processes and mechanisms of molecular electrocatalysts, focusing on both the sulfur reduction reaction (SRR) and sulfur evolution reaction (SER) to explore their potential working principles. Additionally, we analyze the design strategies for novel catalysts aimed at inhibiting the diffusion of lithium polysulfides (LiPSs). This paper aims to design molecular electrocatalysts that facilitate the multiphase conversion of sulfur species, providing guidance for the commercialization of Li−S batteries.