Dynamic oxygen-redox evolution of cathode reactions based on the multistate equilibrium potential model

Abstract Understanding the mechanisms of oxygen anion electrochemical reactions within crystals has long perplexed electrochemical scientists and hindered the structural design and composition optimization of Li-ion cathode materials. Machine learning interatomic potentials (MLIP) are transforming t...

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Bibliographic Details
Main Authors: Nian Ran, Chengbo Li, Qinwen Cui, Dezhen Xue, Jianjun Liu
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01714-2
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