The Catalytic Chemistry for High-Performance Lithium-Sulfur Batteries: A Review and Prospects

Abstract

Lithium-sulfur (Li─S) batteries offer exceptionally high theoretical energy density, making them strong candidates for next-generation energy storage. However, their practical implementation is hindered by severe polysulfide shuttling and sluggish solid-liquid-solid phase transitions, which considerably diminish cycling stability and capacity retention, especially at elevated sulfur loading (≥5 mg cm⁻²). Recent advancements highlight the crucial importance of catalytic chemistry in overcoming these obstacles by reducing reaction energy barriers, facilitating long-range electron transport, and overall performance. Despite progress, a deeper mechanistic understanding of catalytic chemical mediation remains lacking. This review explores catalytic chemistry processes in Li─S batteries, particularly those that promote liquid-solid conversion and long-range electron transport. It discusses key approaches, such as the adjustment of adsorption/desorption dynamics, the regulation of solid-phase nucleation and breakdown energy barriers, and the facilitation of alternate polysulfide conversion routes. Additionally, recent insights from in situ characterization and computational modeling that uncover the molecular-level mechanisms behind catalytic enhancement are highlighted. Future efforts should integrate catalytic materials with advanced electrode architectures and develop multifunctional catalysts to enable high-loading, high-performance Li─S batteries suitable for practical deployment.