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A scaling law to determine phase morphologies during ion intercalation
Energy & Environmental Science ( IF 32.5 ) Pub Date : 2020-05-22 , DOI: 10.1039/d0ee00653j
Dimitrios Fraggedakis 1, 2, 3, 4 , Neel Nadkarni 1, 2, 3, 4 , Tao Gao 1, 2, 3, 4 , Tingtao Zhou 2, 3, 4, 5 , Yirui Zhang 2, 3, 4, 6 , Yu Han 1, 2, 3, 4 , Ryan M. Stephens 4, 7, 8 , Yang Shao-Horn 2, 3, 4, 6, 9 , Martin Z. Bazant 1, 2, 3, 4, 10
Affiliation  

Driven phase separation in ion intercalation materials is known to result in different non-equilibrium phase morphologies, such as intercalation waves and shrinking-core structures, but the mechanisms of pattern selection are poorly understood. Here, based on the idea that the coarsening of the slowest phase is the rate limiting step, we introduce a scaling law that quantifies the transition from quasi-equilibrium intercalation-wave to diffusion-limited shrinking-core behavior. The scaling law is validated by phase-field simulations of single LixCoO2 particles, in situ optical imaging of single LixC6 particles undergoing transitions between stage 1 (x = 1) and 2 (x = 0.5) at different rates, and all the available literature data for single-particle imaging of LixCoO2, LixC6 and LixFePO4. The results are summarized in operational phase diagrams to guide simulations, experiments, and engineering applications of phase-separating active materials. Implications for Li-ion battery performance and degradation are discussed.

中文翻译:

确定离子嵌入过程中相态的定标定律

已知离子插层材料中的驱动相分离会导致不同的非平衡相形态,例如插层波和收缩核结构,但对模式选择的机理了解甚少。在此,基于最慢相位的粗化是速率限制步骤的想法,我们引入了一个定标律,该定律可量化从准平衡插值波到扩散受限的收缩核行为的过渡。比例定律是由单锂的相场模拟验证X的CoO 2个颗粒,在原位单立的光学成像X c ^ 6个阶段1(之间进行转换颗粒X = 1)和2(X= 0.5)和不同的速率,以及Li x CoO 2,Li x C 6和Li x FePO 4的单颗粒成像的所有可用文献数据。结果总结在操作相图中,以指导相分离活性材料的仿真,实验和工程应用。讨论了对锂离子电池性能和性能下降的影响。
更新日期:2020-07-15
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