{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"submitter":["Zhong X"],"pubmed_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<sub>SACS</sub>) 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 "],"journal":["Chemical science"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12442284"],"repository":["biostudies-literature"],"pubmed_title":["Axial fluorine coordination boosts the activity and durability of Fe single-atom catalysts in room-temperature Na-S batteries."],"pmcid":["PMC12442284"],"pubmed_authors":["Cai D","Huang Y","Ji X","He Z","Cai J","Zhong X","Geng Z","Hou H","Deng W","Zou G"],"additional_accession":[]},"is_claimable":false,"name":"Axial fluorine coordination boosts the activity and durability of Fe single-atom catalysts in room-temperature Na-S batteries.","description":"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<sub>SACS</sub>) 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 ","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Sep","modification":"2026-06-03T11:18:14.211Z","creation":"2026-05-29T03:06:00.149Z"},"accession":"S-EPMC12442284","cross_references":{"pubmed":["40969160"],"doi":["10.1039/d5sc05972k"]}}