Single Atom Catalyst Anchored on Nitrogen-Doped Porous Carbon As an Effective Sulfur Host for Lithium-Sulfur Batteries

Lithium-sulfur batteries (LSBs) are considered highly promising for next-generation energy storage due to their high theoretical specific capacity and energy density. However, challenges such as the insulating nature of sulfur cathodes, the detrimental shuttle effect of lithium polysulfides (LiPSs), and sluggish conversion kinetics of LiPSs during charge/discharge cycles impede their commercial viability. In this study, we employed a facile ‘dissolution-carbonization’ approach to synthesize nitrogen-coordinated monometallic atomic catalysts anchored on mesoporous carbon to promote surface-mediated reactions of LiPSs. The hierarchical porous carbon support physically confines the sulfur species, while the introduction of single atoms efficiently captures polysulfide intermediates and facilitates their redox conversion kinetics with a lower activation energy barrier. The synergistic effect of the single atom and nitrogen-rich porous carbon (NC) significantly enhances reaction kinetics and sulfur species utilization. Consequently, LSBs incorporating single-atom catalysts (SACs) demonstrate remarkable performance metrics, including high-capacity retention (824.2 mAh g −1 ), superior Coulombic efficiency (>98.5%), low-capacity decay rate (0.042% per cycle) after 500 cycles at 1 C, and excellent rate capability (776 mA h g –1 at 3 C). This work presents an effective strategy that combines the functions of a nanoporous material host and SACs for lithium-sulfur batteries.