Simulation of intercalation and phase transitions in nano-porous, polycrystalline agglomerates

Abstract Optimal microstructure design of battery materials is critical to enhance the performance of batteries for tailored applications such as high power cells. Accurate simulation of the thermodynamics, transport, and electrochemical reaction kinetics in commonly used polycrystalline battery mat...

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Bibliographic Details
Main Authors: Simon Daubner, Marcel Weichel, Martin Reder, Daniel Schneider, Qi Huang, Alexander E. Cohen, Martin Z. Bazant, Britta Nestler
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01707-1
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