IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v16y2025i1d10.1038_s41467-025-59437-3.html
   My bibliography  Save this article

Axial ligand induces the charge localization of Ca single-atom sites for efficient Na–S batteries

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
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/s41467-025-59437-3
    File Function: Abstract
    Download Restriction: no
    File URL: https://libkey.io/10.1038/s41467-025-59437-3?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-59437-3. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.