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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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01714-2 |
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