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May 18, 2026Journal of the American Chemical Society0 citations

Defining the Reversible Limit of Anionic Redox via Interlayer Li Ordering

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YSYuansheng ShiPJPengfeng JiangFGFushan Geng

Key Points

  • The aim is to define the reversible limit of anionic redox chemistry (ARC) and its correlation with interlayer lithium ordering.
  • Utilized P2–Na0.7Li0.1Cu0.2Mn0.7O2 (NLCM) as a model to examine lithium stacking effects.
  • Conducted advanced operando diagnostic analyses to assess lithium disorder and migration.
  • Focused on the structural dependence of oxygen activities on interlayer Li ordering.
  • Achieved 86% capacity retention over 200 cycles with improved interlayer Li ordering.
  • Lowered voltage hysteresis through an ordered Li stacking framework.
  • Defined the thermodynamic reversible boundary of ARC, suppressing harmful cation migration.

Abstract

Unlocking the latent capacity from lattice oxygen is pivotal for high-energy sodium-ion batteries. However, the practical deployment of anionic redox chemistry (ARC) is impeded by its chaotic structural irreversibility and voltage hysteresis. While current design principles predominantly target in-plane Li topology, the decisive role of long-range interlayer Li ordering in regulating oxygen activities remains an elusive “blind spot.” Here, the reversible limit of anionic redox is defined by establishing a critical structure–performance correlation with c-axis Li ordering. Using P2–Na0.7Li0.1Cu0.2Mn0.7O2 (NLCM) as a model, the effects of interlayer Li stacking are decoupled from the in-plane structures. Advanced operando diagnostic analyses reveal that turbostratic Li disorder acts as a kinetic trigger for the uncontrolled and parasitic Li migration, leading to “pathological” excess capacity and rapid degradation. Crucially, a highly ordered Li stacking framework is identified as a rigid structural lock that strictly defines the thermodynamic reversible boundary of ARC. By achieving interlayer Li ordering, deleterious cation migration and over-activation of anionic capacity are suppressed to achieve highly reversible anionic redox, delivering lower voltage hysteresis and 86% capacity retention over 200 cycles. This work transcends the conventional 2D design descriptors, offering a feasible protocol for taming ARC through 3D crystallographic regulation.

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Cite This Study

Shi et al. (2026) studied this question.

synapsesocial.com/papers/6a0aac2b5ba8ef6d83b6fb4fhttps://doi.org/10.1021/jacs.6c01376
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