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Tuning Li occupancy and local structures for advanced Co-free Ni-rich positive electrodes

Author

Listed:
  • Hang Li

    (Peking University Shenzhen Graduate School
    Karlsruhe Institute of Technology (KIT))

  • Hao Liu

    (Karlsruhe Institute of Technology (KIT))

  • Shunrui Luo

    (Bellaterra)

  • Jordi Arbiol

    (Bellaterra
    ICREA)

  • Emmanuelle Suard

    (Institute Laue-Langevin (ILL))

  • Thomas Bergfeldt

    (Karlsruhe Institute of Technology (KIT))

  • Alexander Missyul

    (CELLS-ALBA Synchrotron)

  • Volodymyr Baran

    (Deutsches Elektronen-Synchrotron (DESY))

  • Stefan Mangold

    (Karlsruhe Institute of Technology (KIT))

  • Yongchao Zhang

    (Bellaterra)

  • Weibo Hua

    (Xi’an Jiaotong University)

  • Michael Knapp

    (Karlsruhe Institute of Technology (KIT))

  • Helmut Ehrenberg

    (Karlsruhe Institute of Technology (KIT))

  • Feng Pan

    (Peking University Shenzhen Graduate School)

  • Sylvio Indris

    (Karlsruhe Institute of Technology (KIT)
    Université Mohammed VI Polytechnique (UM6P))

Abstract

Structure evolution and surface reactivity have long been regarded as the most crucial points for studying Ni-rich positive electrodes for Li-ion batteries. Unfortunately, the influence of Li occupancy as a single factor on electro-chemomechanical stability has been overlooked and is missing, owing to the challenge of Li determination in the lattice. Here, a comprehensive analysis reveals different Li occupancies and related structural domains (Ni/Li exchange, LiaXOb, Li/Mn/X(Ni) ordering domains, X = Nb5+, W6+, and Mo6+) by using a combination of Li-sensitive characterization techniques. By introducing a Li-regulation strategy, the relative ratio of each domain is effectively tuned in the Ni-rich positive electrodes. Through tuning, two specific positive electrodes are designed, exhibiting notable improvement in battery cyclability. The specific Li structural units induce significant changes in redox mechanisms. This Li-occupancy-tuning approach highlights the necessity of focusing on Li distribution and opens up ideas for designing advanced Ni-rich positive electrodes with high durability.

Suggested Citation

  • Hang Li & Hao Liu & Shunrui Luo & Jordi Arbiol & Emmanuelle Suard & Thomas Bergfeldt & Alexander Missyul & Volodymyr Baran & Stefan Mangold & Yongchao Zhang & Weibo Hua & Michael Knapp & Helmut Ehrenb, 2025. "Tuning Li occupancy and local structures for advanced Co-free Ni-rich positive electrodes," Nature Communications, Nature, vol. 16(1), pages 1-12, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-57063-7
    DOI: 10.1038/s41467-025-57063-7
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