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Lithium Dendrite Inhibition on Post-Charge Anode Surface: The Kinetics Role

机译:充电后阳极表面上锂枝晶的抑制作用:动力学作用

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摘要

We report experiments and molecular dynamics calculations on the kinetics of electrodeposited lithium dendrites relaxation as a function of temperature and time. We found that the experimental average length of dendrite population decays via stretched exponential functions of time toward limiting values that depend inversely on temperature. The experimental activation energy derived from initial rates as E_a~ 6-7 kcal/mole, which is closely matched by MD calculations, based on the ReaxFF force field for metallic lithium. Simulations reveal that relaxation proceeds in several steps via increasingly larger activation barriers. Incomplete relaxation at lower temperatures is therefore interpreted a manifestation of cooperative atomic motions into discrete topologies that frustrate monotonic progress by ‘caging’.
机译:我们报告了电沉积锂枝晶弛豫动力学随温度和时间变化的动力学实验和分子动力学计算。我们发现,枝晶群体的实验平均长度通过时间的拉伸指数函数朝着与温度成反比的极限值衰减。实验活化能从初始速率E_a〜6-7 kcal / mole得出,与金属锂的ReaxFF力场基于MD计算非常匹配。模拟表明,通过越来越大的激活势垒,弛豫过程分几步进行。因此,较低温度下的不完全松弛被解释为协作原子运动成为离散拓扑的一种表现形式,这些拓扑通过“笼养”阻碍了单调进展。

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