Design Principles of Single Atoms on Carbons for Lithium–Sulfur Batteries

Abstract The study of lithium–sulfur (Li‐S) batteries has generated various rationally designed cathodes and modified separators. However, the shuttle of soluble lithium polysulfides (LiPSs) and the sluggish kinetics of transformation of LiPSs to Li 2 S 2 /Li 2 S still hinder the achievement of long‐life cycling and high‐rate of Li‐S batteries. Even though several kinds of nanocatalysts have been studied, the catalytic effects for Li‐S batteries are not ideal. Single atoms (SAs) with high surface free energy are found to serve as both anchoring and electrocatalytic centers for LiPSs. Atomically dispersed metal catalysts on carbon provide conductive and flexible hosts for dielectric sulfur. Moreover, SAs as the uniform lithiophilic sites can reduce the nucleation overpotential and ensure uniform plating of Li. In this review, the latest strategies for preparation of SAs supported on carbons are provided for the application of Li‐S batteries, including cathodes, modified separators, and Li metal anodes. In addition, it also discusses how SAs with high catalytic activity can help build better Li‐S batteries and the design principles for SAs. Finally, the future directions of SAs in energy storage applications are proposed.