论文标题
锂电沉积和剥离的动力学
Kinetics of lithium electrodeposition and stripping
论文作者
论文摘要
电沉积和剥离是金属的基本电化学过程，并且由于锂金属电极而引起的可充电锂离子电池具有重要意义。与锂金属电沉积和剥离相关的电极动力学对于确定快速放电和电荷的性能至关重要，这对于电动垂直起飞和着陆（EVTOL）飞机和电动汽车（EV）很重要。在这项工作中，我们显示了Marcus-Hush-Chidsey（MHC）动力学的使用来准确预测Boyle等人的工作中的Tafel曲线数据。我们讨论了来自Marcus-Hush的重组能量和四个溶剂中锂金属电极的MHC模型的预测差异。 MHC动力学模型是在Cantera内实施和开源的。在伪2D电池模型中，使用锂阳极与LifePo $ _4 $阴极配对的反应动力学模型，我们显示了对MHC动力学的计算的重要性，并将其与Butler-Volmer（BV）和Marcus-Hush Kinetic模型的使用进行比较。我们发现，对于快速放电条件，与反应动力学相关的过电势方面的显着偏差分别与EVTOL和EV相关。
Electrodeposition and stripping are fundamental electrochemical processes for metals and have gained importance in rechargeable Li-ion batteries due to lithium metal electrodes. The electrode kinetics associated with lithium metal electrodeposition and stripping is crucial in determining performance at fast discharge and charge which is important for electric vertical take-off and landing (eVTOL) aircraft and electric vehicles (EV). In this work, we show the use of Marcus-Hush-Chidsey (MHC) kinetics to accurately predict the Tafel curve data from the work of Boyle et al. We discuss the differences in predictions of reorganization energies from the Marcus-Hush and the MHC models for lithium metal electrodes in four solvents. The MHC kinetic model is implemented and open-sourced within Cantera. Using the reaction kinetic model in a pseudo-2D battery model with a lithium anode paired with a LiFePO$_4$ cathode, we show the importance of accounting for the MHC kinetics and compare it to the use of Butler-Volmer (BV) and Marcus-Hush kinetic models. We find that significant deviation in the overpotentials associated with reaction kinetics for the two different rate laws for conditions of fast discharge and charge relevant for eVTOL and EV respectively.
