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Mesoscale Effects in the Extraction of the Solid-State Lithium Diffusion Coefficient Values of Battery Active Materials: Physical Insights from 3D Modeling.
The Journal of Physical Chemistry Letters ( IF 5.7 ) Pub Date : 2020-03-24 , DOI: 10.1021/acs.jpclett.0c00517
Mehdi Chouchane 1, 2 , Emiliano N Primo 1, 2 , Alejandro A Franco 1, 2, 3, 4
Affiliation  

During the screening of active materials (AMs) for lithium-ion batteries, the solid-state lithium diffusion coefficient (DLi) is one of the most relevant descriptors used to evaluate the relevance of an AM candidate. However, for a given compound, the DLi values reported in literature span over several orders of magnitude. Therefore, through the case study of LiNi1/3Mn1/3Co1/3O2 cathode AM, new physical insights are provided to explain the dispersion of DLi values obtained through galvanostatic intermittent titration technique (GITT) . For the first time, a 3D electrochemical model (accounting for the carbon-binder domain) fed with experimental inputs is capable of highlighting the limitations of the most widely used equation for deriving DLi. Through our model, we show that these limitations arise from the influence of the carbon-binder domain location throughout the electrode and the non-homogeneous AM phasedistribution and particle size.

中文翻译:

电池活性材料固态锂扩散系数值提取中的中尺度效应:3D建模的物理见解。

在锂离子电池活性材料(AMs)的筛选过程中,固态锂扩散系数(D Li)是用于评估AM候选物相关性的最相关描述符之一。但是,对于给定的化合物,文献中报道的D Li值跨越几个数量级。因此,通过LiNi 1/3 Mn 1/3 Co 1/3 O 2阴极AM的案例研究,提供了新的物理见解来解释D Li的分散通过恒电流间歇滴定技术(GITT)获得的值。由实验输入馈入的3D电化学模型(占碳-粘合剂域)首次能够突显用于推导D Li的最广泛使用的方程式的局限性。通过我们的模型,我们表明这些局限性是由于碳粘合剂域在整个电极中的位置以及非均质AM相分布和粒径的影响所致。
更新日期:2020-03-26
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