Citation: Yajie Li, Liting Sha, Geng Zhang, Bin Chen, Wei Zhao, Yiping Wang, Siqi Shi. Phase-field simulation tending to depict practical electrodeposition process in lithium-based batteries[J]. Chinese Chemical Letters, ;2023, 34(2): 107993. doi: 10.1016/j.cclet.2022.107993 shu

Phase-field simulation tending to depict practical electrodeposition process in lithium-based batteries

Yajie Li ^a ,
Liting Sha ^a ,
Geng Zhang ^{b, *,} ,
Bin Chen ^a ,
Wei Zhao ^a ,
Yiping Wang ^a ,
Siqi Shi ^{a, c, d, *,}

a.
School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China
b.
Physical Science and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900, Saudi Arabia
c.
Materials Genome Institute, Shanghai University, Shanghai 200444, China
d.
Zhijiang Laboratory, Hangzhou 311100, China

geng.zhang@kaust.edu.sa

sqshi@shu.edu.cn

Received Date: 4 October 2022
Revised Date: 25 October 2022
Accepted Date: 7 November 2022
Available Online: 11 November 2022

Figures(8)

Lithium dendrite growth due to uneven electrodeposition usually leads to the potential hazard of internal short circuit and shorter lifetime of lithium-based batteries. Extensive efforts have been devoted to explore the effects of single or two factors on dendrite growth, involving the diffusion coefficient, exchange current density, electrolyte concentration, temperature, and applied voltage. However, these factors interrelate during battery operation, signifying that a understanding of how they jointly influence the electrodeposition is of paramount importance for the effective suppression of dendrites. Here, we incorporate the dependent relationships among key factors into the phase-field model to capture their synergistic effects on electrodeposition. All the simulations are implemented in our self-written MATLAB code under a unified modeling framework. Following this, five groups of experimentally common dendrite patterns are reproduced and the corresponding electrodeposition driving forces are identified. Unexpectedly, we find that with the decrease of the ratio of exchange current density (or applied voltage) to diffusion coefficient, the electrodeposition morphology changes from needle-like dendrites to columnar dendrites and to uniform deposition. The present phase-field simulation tends to depict the practical electrodeposition process, providing important insights into synergistic regulation to suppress dendrite growth.
- Lithium-based batteries,
- Dendrite growth,
- Phase-field model,
- Parametric study,
- Synergistic effects
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