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Article Abstract
The main-group s-block metal single-atom catalysts (SACs) are typically regarded as catalytically inactive for sulfur conversion reactions in sodium-sulfur batteries. Herein, we design efficient calcium (Ca) SACs coordinated with one axial N atom and four planar O atoms (Ca-ON-C) for sodium-sulfur batteries. The axial N ligand induces the charge localization at Ca sites to strengthen p-p orbital-hybridization between Ca centers and sulfur species, which boosts the affinity toward sodium polysulfides (NaS) and simultaneously promotes the conversion kinetics. The Ca-ON-C@S exhibits superior sulfur conversion activity of 1211 mAh g based on the mass of sulfur at 335 mA g after 100 cycles under a sulfur loading of 1.0 mg cm with an electrolyte of 2M sodium bis(trifluoromethylsulfonyl)imide in propylene carbonate/fluoroethylene carbonate and an electrolyte-to-sulfur ratio of 70 μL mg, which is well-placed among d-block SACs for sodium-sulfur batteries. This work regulates the p orbital charge distribution of Ca SACs for efficient sodium-sulfur batteries.
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| http://dx.doi.org/10.1038/s41467-025-59437-3 | DOI Listing |
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