Simulating Lithium Deposition on Planar Anode: TheRole of Particle Reservoir and the Influence of Dendrite Growth onCurrent Density Profiles

In this work, we developed a computational model of lithium deposition on planar electrodes. With this model, we simulated several chronoamperometry experiments considering different deposition probabilities, i.e., cell overpotentials. Since the planar geometry induces an ion concentration gradient profile that continues to evolve toward the bulk electrolyte, we studied the influence of the lithium reservoir and rationalized its role in the real system. The solid electrolyte interface is conceptualized as a thin layer whose thickness determines the ion diffusion profile. Additionally, the impact of dendrite formations on electrode roughness and current density profiles was analyzed by comparison with test simulations, assuming inhibited dendrite growth. By presenting current density profiles in quantitatively meaningful units, our work narrows the gap for further comparison with experimental measurements. The utility of our simulations for determining the electrode area in lithium metal batteries is addressed.

Publication Details

Journal
Figshare
Published
2025-02-04
DOI
https://doi.org/10.1021/acs.jpcc.4c06883.s001
Primary Topic
Advanced Battery Materials and Technologies
Type
article
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article

Simulating Lithium Deposition on Planar Anode: TheRole of Particle Reservoir and the Influence of Dendrite Growth onCurrent Density Profiles

Figshare
Advanced Battery Materials and Technologies
article

Simulating Lithium Deposition on Planar Anode: TheRole of Particle Reservoir and the Influence of Dendrite Growth onCurrent Density Profiles

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Abstract

In this work, we developed a computational model of lithium deposition on planar electrodes. With this model, we simulated several chronoamperometry experiments considering different deposition probabilities, i.e., cell overpotentials. Since the planar geometry induces an ion concentration gradient profile that continues to evolve toward the bulk electrolyte, we studied the influence of the lithium reservoir and rationalized its role in the real system. The solid electrolyte interface is conceptualized as a thin layer whose thickness determines the ion diffusion profile. Additionally, the impact of dendrite formations on electrode roughness and current density profiles was analyzed by comparison with test simulations, assuming inhibited dendrite growth. By presenting current density profiles in quantitatively meaningful units, our work narrows the gap for further comparison with experimental measurements. The utility of our simulations for determining the electrode area in lithium metal batteries is addressed.

Figshare
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Advanced Battery Materials and Technologies
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