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<p>Sodium-sulfur batteries face critical challenges from polysulfide shuttle effects. Herein, we propose a 2D-FeS<sub>2</sub>/graphene van der Waals heterostructure as an efficient anchoring material. This configuration preserves the metallic conductivity of graphene (enhancing cathode electron transport) while leveraging FeS<sub>2</sub>’s polarity for strong polysulfide adsorption (1.4–3.7&#xa0;eV). Charge transfer analysis shows that the anchoring ability is further enhanced by increasing the polarity, which helps reduce the high proportion of van der Waals forces in the adsorption energy of the heterostructure. Notably, the heterostructure exhibits low energy barriers for Na<sub>2</sub>S decomposition (0.27&#xa0;eV) and Na<sup>+</sup> migration (0.16&#xa0;eV), enabling effective polysulfide conversion kinetics. These synergistic effects collectively suppress shuttle effects and improve cycling stability, demonstrating great potential for high-performance sodium-sulfur batteries.</p> Graphical Abstract <p></p>

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2D-FeS2/graphene heterojunction as a sulfur cathode host for enhanced redox kinetics in Na-S batteries

  • 期刊论文

  • 发表日期：

    2025年8月13日

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  • Xinnan Deng,
  • Chengdong Wei,
  • Jihong Li,
  • Hongtao Xue,
  • Chengdan He,
  • Jin Wang,
  • Yan Zhang,
  • Fuling Tang

摘要

Sodium-sulfur batteries face critical challenges from polysulfide shuttle effects. Herein, we propose a 2D-FeS2/graphene van der Waals heterostructure as an efficient anchoring material. This configuration preserves the metallic conductivity of graphene (enhancing cathode electron transport) while leveraging FeS2’s polarity for strong polysulfide adsorption (1.4–3.7 eV). Charge transfer analysis shows that the anchoring ability is further enhanced by increasing the polarity, which helps reduce the high proportion of van der Waals forces in the adsorption energy of the heterostructure. Notably, the heterostructure exhibits low energy barriers for Na2S decomposition (0.27 eV) and Na+ migration (0.16 eV), enabling effective polysulfide conversion kinetics. These synergistic effects collectively suppress shuttle effects and improve cycling stability, demonstrating great potential for high-performance sodium-sulfur batteries.

Graphical Abstract