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August 19, 2025Advanced Functional MaterialsOpen Access

Heterostructure‐Driven D‐Band of MoS2 Engineering Catalytic Polysulfide Conversion in Lithium–Sulfur Batteries

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Authors

RDRuixian DuanXi’an UniversityGCGuiqiang CaoXi’an UniversityJLJun LiKunming University of Science and Technology

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Implication

This analysis demonstrates improved polysulfide conversion in lithium-sulfur batteries with d-band engineering using MoS2, indicating vital correlations in catalytic performance.

Key Points

  • Optimal catalytic performance of C@3MoS2-1MoSe2 reaches 586.2 mAh g−1 at 5C, confirming its effectiveness for polysulfide conversion.
  • The study identifies the shift of the d-band center towards the Fermi level, enhancing catalytic activity due to improved binding affinities.
  • Using a yolk-shell heterostructure approach, the d-band centers of MoS2 and MoSe2 were effectively optimized for better lithium-sulfur interactions.
  • Interfacial charge redistribution in heterostructures resulted in stronger Li-S binding and faster redox kinetics, crucial for successful battery operations.

Cite This Study

Duan et al. (2025) studied this question.

synapsesocial.com/papers/68af4551ad7bf08b1ead395ahttps://doi.org/10.1002/adfm.202512936
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