论文标题

实验验证的3D电化学模型揭示了电极制造参数对电池性能的影响

An Experimentally-Validated 3D Electrochemical Model Revealing Electrode Manufacturing Parameters Effects on Battery Performance

论文作者

Liu, Chaoyue, Lombardo, Teo, Xu, Jiahui, Ngandjong, Alain C., Franco, Alejandro A.

论文摘要

电极制造是锂离子电池(LIB)制造过程的核心。电极微结构和电化学性能由采用的制造参数确定。但是,考虑到这些参数之间的强烈相互依赖性,评估它们对绩效的影响并不是一项琐碎的任务。在这项工作中,我们提出了一个经过实验验证的基于NMC111电极的3D分辨电化学模型,该模型揭示了浆料配方和日历程度如何影响电极性能。在实验水平上制造了一系列具有不同配方和日历程度的电极。相应的三维制造模型是基于相同的实验制造参数构建的,以生成然后在电化学模型中使用的实验电极的数字对应物。分别比较了模拟和实验的结果。在分析的制造参数中,我们发现连接制造参数和电极性能的主要因素是电极体积内的碳和粘合剂域(CBD)分布,电极和电流收集器之间的静电电势差。整个电极中良好连接的电子导电网络对于确保充分利用活性材料至关重要,并且发现增加的日历程度可有效减少界面阻抗。这项工作是基于双重建模/实验方法来揭示的,电极制造过程如何通过影响其微结构来影响电极性能的本质。

Electrode manufacturing is at the core of the lithium ion battery (LIB) fabrication process. The electrode microstructure and the electrochemical performance are determined by the adopted manufacturing parameters. However, in view of the strong interdependencies between these parameters, evaluating their influence on the performance is not a trivial task. In this work we present an experimentally validated 3D-resolved electrochemical model of a NMC111-based electrode which reveals how slurry formulation and calendering degree affect the electrode performance. A series of electrodes with different formulations and calendering degrees were fabricated at the experimental level. Corresponding three-dimensional manufacturing models were built based on the same experimental manufacturing parameters to generate the digital counterparts of the experimental electrodes that were then used in the electrochemical model. The results of simulations and experiments were compared individually. Among the manufacturing parameters analyzed, we found that the major factors linking manufacturing parameters and electrode performance are the carbon and binder domain (CBD) distribution within the electrode volume, and the electrostatic potential difference between the electrode and the current collector. A well-connected electronic conductive network throughout the electrode is vital for ensuring full utilization of active material, and it was found that increasing calendering degree is effective in reducing interfacial impedance. This work uncovers, based on a dual modeling/experimental approach, the essence of how electrode manufacturing process takes effect on electrode performance by influencing its microstructure.

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