Author
Listed:
- Fangcai Zheng
(Chinese Academy of Sciences
Anhui University)
- Yuhang Zhang
(Chinese Academy of Sciences
Anhui University)
- Zhiqiang Li
(Chinese Academy of Sciences
Anhui University)
- Ge Yao
(Chinese Academy of Sciences
Anhui University)
- Lingzhi Wei
(Anhui University)
- Changlai Wang
(Chikusa-ku)
- Qianwang Chen
(Chinese Academy of Sciences
University of Science and Technology of China)
- Hui Wang
(Chinese Academy of Sciences)
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-O4N-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 (Na2Sn) and simultaneously promotes the conversion kinetics. The Ca-O4N-C@S exhibits superior sulfur conversion activity of 1211 mAh g−1 based on the mass of sulfur at 335 mA g−1 after 100 cycles under a sulfur loading of 1.0 mg cm−2 with an electrolyte of 2M sodium bis(trifluoromethylsulfonyl)imide in propylene carbonate/fluoroethylene carbonate and an electrolyte-to-sulfur ratio of 70 μL mg−1, 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.
Suggested Citation
Fangcai Zheng & Yuhang Zhang & Zhiqiang Li & Ge Yao & Lingzhi Wei & Changlai Wang & Qianwang Chen & Hui Wang, 2025.
"Axial ligand induces the charge localization of Ca single-atom sites for efficient Na–S batteries,"
Nature Communications, Nature, vol. 16(1), pages 1-11, December.
Handle:
RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-59437-3
DOI: 10.1038/s41467-025-59437-3
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