动能
选择性
离子
扩散
固态
化学物理
化学
热力学
材料科学
物理化学
物理
催化作用
有机化学
量子力学
作者
Vir Karan,Max C. Gallant,Yuxing Fei,Gerbrand Ceder,Kristin A. Persson
标识
DOI:10.1038/s41563-026-02596-5
摘要
ratios as a function of time and temperature. We find that diffusion-thermodynamics interplay governs phase compositions, with cross-ion transport coefficients critical for predicting diffusion-limited selectivity. This work bridges length scales and timescales by integrating solid-state reaction kinetics with first-principles thermodynamics and spatial reactivity.
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