Citation: Yuanmao Chen, Luoyi Ding, Qinghui Zeng, Yongteng Dong, Xinyang Yue, Xianping Si, Donglin Zhang, Qingtuan Qu, Zheng Liang, Wei Hao. Investigating the gas generation during Li plating in fast-charging Li-ion batteries[J]. Chinese Chemical Letters, ;2026, 37(7): 111127. doi: 10.1016/j.cclet.2025.111127 shu

Investigating the gas generation during Li plating in fast-charging Li-ion batteries

Yuanmao Chen ^{a, 1} ,
Luoyi Ding ^{a, 1} ,
Qinghui Zeng ^{a, 1} ,
Yongteng Dong ^{a, 1} ,
Xinyang Yue ^{a, *,} ,
Xianping Si ^b ,
Donglin Zhang ^b ,
Qingtuan Qu ^b ,
Zheng Liang ^{a, *,} ,
Wei Hao ^{a, c, *,}

a.
Frontiers Science Center for Transformative Molecules, School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China
b.
Henan Yujing Energy, Zhengzhou 450000, China
c.
Department of Electrical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China

xinyangyue@sjtu.edu.cn

liangzheng06@sjtu.edu.cn

simonhao@sjtu.edu.cn

Received Date: 27 January 2025
Revised Date: 16 March 2025
Accepted Date: 20 March 2025
Available Online: 7 April 2025

Figures(5)

Lithium plating and gas evolution during fast charging of graphite-based lithium-ion batteries (LIBs) are among the pivotal challenges contributing to rapid capacity loss. However, the mechanisms underlying gas generation and corresponding mitigation strategies in electrolytes comprising mixed organic molecules and Li salts remain underexplored. Herein, we employed first-principles studies to simulate the lithiation process of electrolytes and predicted gas formation at anode interfaces with Li plating. Our results emphasize the critical role of Li salts in initiating solvent molecule decomposition and the exacerbation of interfacial degradation under conditions of elevated temperature and prolonged annealing, giving rise to the production of CO, C₂H₄, CH₄, and H₂, along with a significant increase in SEI's electronic conductivity. Moreover, our computations highlight that ethylene carbonate (EC) in commercial electrolytes is the overarching cause of interface instability and gas evolution. Experimental validations demonstrate that reducing the EC content in electrolytes results in an enhancement of the specific capacity of LiNi_0.8Co_0.1Mn_0.1O₂graphite full cells from 158.13 mAh/g to 182.53 mAh/g, and an improvement in capacity retention from 72.0% to 80.4% over 130 cycling at 3 C. This research provides a theoretical framework for designing fast-charging electrolytes with stable interfaces and minimal gas generation.
- Li-ion battery,
- Gas generation,
- Fast charging,
- Li plating,
- Electrolyte engineering
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