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arXiv · 1504.05799

Stability and surface diffusion at lithium-electrolyte interphases with connections to dendrite suppression

Yalcin Ozhabes·Deniz Gunceler·T. A. Arias
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Abstract

This work presents an ab initio exploration of fundamental mechanisms with direct relevance to dendrite formation at lithium-electrolyte interfaces. Specifically, we explore surface diffusion barriers and solvated surface energies of typical solid-electrolyte interphase layers of lithium metal electrodes. Our results indicate that surface diffusion is an important mechanism for understanding the recently observed dendrite suppression from lithium-halide passivating layers, which were motivated by our previous work. Our results uncover possible mechanisms underlying a new pathway for mitigating dendridic electrodeposition of lithium on metal and thereby contribute to the ongoing efforts to develop stable lithium metal anodes for rechargeable battery systems.

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Yalcin Ozhabes, Deniz Gunceler, T. A. Arias. 2015-04-22. Stability and surface diffusion at lithium-electrolyte interphases with connections to dendrite suppression. https://arxiv.org/abs/1504.05799

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