We derive and implement a set of equations that can be used to describe overcharge of a lithium ion cell, which can result in lithium (Li) plating on the graphite electrode. Graphite electrodes are the current material of the choice for the negative electrode (anode on discharge). We add two theoretical developments to published models to address Li plating. First, the existing models are not well-posed in terms of handling the Li deposition and dissolution electrochemical reactions. Second, the plated Li can interact directly with vacant sites in the graphite, which has not been treated in the literature, and which impacts the system response. With the inclusion of these new theoretical developments, and the use of our recently developed multi-site, multi-reaction (MSMR) formulation, we demonstrate the utility of the overcharge model and simulate relatively fast charging and discharging of a graphite electrode (i.e., at the 1C rate, yielding about 1 hour to fully charge or discharge the electrode) with a single-particle representation.

中文翻译：

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石墨电极上的过充建模：锂的电镀和溶解

我们推导并实现了一组方程式，该方程式可用于描述锂离子电池的过充电，这可能导致石墨电极上的锂（Li）镀层。石墨电极是负极（放电时的阳极）的当前选择材料。我们在已发表的模型中增加了两个理论上的发展以解决锂电镀问题。首先，在处理锂沉积和溶解电化学反应方面，现有模型并不完善。其次，镀Li可以直接与石墨中的空位相互作用，这在文献中还没有进行处理，从而影响了系统响应。纳入了这些新的理论发展成果，并使用了我们最近开发的多位置，多反应（MSMR）配方，