Axial fluorine coordination boosts the activity and durability of Fe single-atom catalysts in room-temperature Na-S batteries.

ABSTRACT: Single-atom catalysts (SACs) hold promise for addressing challenges of polysulfide shuttle and sluggish sulfur reduction reaction (SRR) in room-temperature (RT) Na-S batteries. However, their structural durability under harsh electrochemical conditions remains a critical concern. Herein, we propose an effective strategy to optimize and stabilize the active sites of Fe single atoms (Fe_SACS) by modulating the local geometries through axial fluorine (F) coordination, thus significantly alleviating the stability problems faced by conventional high-performance but deactivation-prone Fe-N-C catalysts. Density functional theory (DFT) calculations and experimental results confirm that the enhanced Fe-F interactions in the second shell layer play a key role in maintaining the structural

SUBMITTER: Zhong X 

PROVIDER: S-EPMC12442284 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature