Simulating Lithium Deposition on Planar Anode: The Role of Particle Reservoir and the Influence of Dendrite Growth on Current 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.

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Publication Details

Journal
The Journal of Physical Chemistry C
Published
2025-02-04
DOI
https://doi.org/10.1021/acs.jpcc.4c06883
Primary Topic
Advancements in Battery Materials
Type
article
Field-Weighted Citation Impact
0.00

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article

Simulating Lithium Deposition on Planar Anode: The Role of Particle Reservoir and the Influence of Dendrite Growth on Current Density Profiles

S. Alexis Paz, Ezequiel P. M. Leiva, C. Andrea Calderón, Paula V. Saravia
The Journal of Physical Chemistry C
Advancements in Battery Materials
article

Simulating Lithium Deposition on Planar Anode: The Role of Particle Reservoir and the Influence of Dendrite Growth on Current Density Profiles

S. Alexis Paz, Ezequiel P. M. Leiva, C. Andrea Calderón, Paula V. Saravia
article en

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.

The Journal of Physical Chemistry CVol. 129(6)
Universidad Nacional de Córdoba (AR), Instituto de Investigaciones en Ciencias de la Salud (AR), Centro Científico Tecnológico - Tucumán (AR)
Department of Science and Technology, Ministry of Science and Technology, India, Consejo Nacional de Investigaciones Científicas y Técnicas, Ministerio de Ciencia, Tecnología e Innovación Productiva, Consiglio Nazionale delle Ricerche, Secretaria de Ciencia y Tecnología - Universidad Nacional de Córdoba, Agencia Nacional de Promoción Científica y Tecnológica
Openalex Percentile: Top 98%
Advancements in Battery Materials
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