Numerical simulations of all-solid-state batteries using specific contact area diameters for active materials determined by X-ray computed tomography

IF 5.4 Q2 CHEMISTRY, PHYSICAL Journal of Power Sources Advances Pub Date : 2023-04-01 DOI:10.1016/j.powera.2023.100120
S. Iwamoto , M. Kodama , K. Yanagi , Y. Haniu , Y. Fujii , N. Masuda , H. Higuchi , Y. Suetsugu , S. Hirai
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引用次数: 1

Abstract

At present, it would be desirable to improve the C-rate values of bulk-type all-solid-state lithium-ion batteries by optimizing the electrode structures. Although simulations are an effective means of determining optimal structures, a high degree of accuracy is required. The present study demonstrates a pseudo-two-dimensional (P2D) method of simulating cathodes providing improved accuracy along with low computational cost and based on actual three-dimensional electrode structures. This method incorporates the volume fraction and tortuosity of the solid electrolyte (SE) and active material (AM), both of which are widely used in conventional simulations, and takes into account the specific contact area diameter (DSCA) of the AM. The latter parameter reflects the extent of AM particle aggregation and is obtained from the analysis of three-dimensional X-ray computed tomography images. The validity of these P2D simulations is confirmed by comparison with experimental results for three electrodes having different SE particle sizes. The experimental result shows that battery capacity is increased with decreases in the SE particle sizes. This effect is not predicted using conventional P2D simulations employing only volume fraction and tortuosity but is reproduced by P2D simulations in which DSCA values are used to model AM particle aggregation and Li diffusion within AM particles.

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使用X射线计算机断层扫描确定的活性材料比接触面积直径的全固态电池的数值模拟
目前,通过优化电极结构来提高块状全固态锂离子电池的c倍率值是很有希望的。虽然模拟是确定最佳结构的有效手段,但需要高度的精度。本研究展示了一种基于实际三维电极结构的伪二维(P2D)模拟阴极的方法,该方法可以提高精度并降低计算成本。该方法结合了传统模拟中广泛使用的固体电解质(SE)和活性材料(AM)的体积分数和弯曲度,并考虑了AM的比接触面积直径(DSCA)。后一个参数反映了AM粒子聚集的程度,并从三维x射线计算机断层图像的分析中获得。通过与三种不同SE粒径电极的实验结果对比,验证了P2D模拟的有效性。实验结果表明,电池容量随SE粒径的减小而增大。使用仅采用体积分数和弯曲度的传统P2D模拟无法预测这种效应,但通过P2D模拟可以再现这种效应,其中DSCA值用于模拟AM颗粒聚集和Li在AM颗粒内的扩散。
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来源期刊
CiteScore
9.10
自引率
0.00%
发文量
18
审稿时长
64 days
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