Thermodynamics of multi-sublattice battery active materials: from an extended regular solution theory to a phase-field model of LiMnyFe1-yPO4

Abstract Phase separation during the lithiation of redox-active materials is a critical factor affecting battery performance, including energy density, charging rates, and cycle life. Accurate physical descriptions of these materials are necessary for understanding underlying lithiation mechanisms,...

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Bibliographic Details
Main Authors: Pierfrancesco Ombrini, Martin Z. Bazant, Marnix Wagemaker, Alexandros Vasileiadis
Format: Article
Language:English
Published: Nature Portfolio 2023-08-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-023-01109-1