可充电电池中枝晶问题的相场模拟

doi:10.19799/j.cnki.2095-4239.2022.0049

储能科学与技术 ›› 2022, Vol. 11 ›› Issue (3): 929-938.doi: 10.19799/j.cnki.2095-4239.2022.0049

• 储能新材料设计与先进表征专刊 • 上一篇下一篇

可充电电池中枝晶问题的相场模拟

李亚捷¹(), 张更²(), 沙立婷¹, 赵伟¹, 陈斌¹, 王达¹, 喻嘉³, 施思齐^1,^3,⁴

^1.上海大学材料科学与工程学院，上海 200444
^2.阿卜杜拉国王科技大学物理科学与工程系，沙特阿拉伯王国图瓦 23955-6900
^3.上海大学材料基因组工程研究院，上海 200444
^4.之江实验室，浙江杭州 311100

收稿日期:2022-01-30 修回日期:2022-02-14 出版日期:2022-03-05 发布日期:2022-03-11
通讯作者: 张更 E-mail:liyajiejuly@shu.edu.cn;geng.zhang@kaust.edu.sa
作者简介:李亚捷（1990—），女，讲师，主要研究方向为电池安全性能及相场模拟研究，E-mail：liyajiejuly@shu.edu.cn；
基金资助:
国家自然科学基金青年项目(52102280);上海市浦江人才计划(2019PJD016);中国工程物理研究院中子物理学重点实验室开放课题(2019BB07);国家自然科学基金优秀青年科学基金项目(51622207);国家自然科学基NSAF联合基金重点项目(U2030206);国家自然科学基金面上项目(11874254)

Phase-field simulation of dendrite growth in rechargeable batteries

Yajie LI¹(), Geng ZHANG²(), Liting SHA¹, Wei ZHAO¹, Bin CHEN¹, Da WANG¹, Jia YU³, Siqi SHI^1,^3,⁴

^1.School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China
^2.Physical Science and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900, Saudi Arabia
^3.Materials Genome Institute, Shanghai University, Shanghai 200444, China
^4.Zhejiang Laboratory, Hangzhou 311100, Zhejiang, China

Received:2022-01-30 Revised:2022-02-14 Online:2022-03-05 Published:2022-03-11
Contact: Geng ZHANG E-mail:liyajiejuly@shu.edu.cn;geng.zhang@kaust.edu.sa

摘要/Abstract

摘要：

可充电电池已被广泛应用于电动汽车等国家重点战略发展领域，然而在电池反复的充放电过程中，金属离子的不均匀沉积会导致电极表面枝晶生长，电池可逆容量降低和内部短路。枝晶的形成是极其复杂的过程，涉及到电化学、热力学、动力学和结晶学等多个学科，并受到充电条件、压应力、电池组分、温度、磁场等多重因素的影响。本文系统剖析了枝晶成核和生长过程中涉及到的理论模型，全面回顾了相场模拟在可充电电池枝晶问题中的研究进展，重点讨论充电条件、应力、外压及离子分布等因素对枝晶生长的影响，给出了电化学相场模拟在电池枝晶领域的研究范式。进而采用相场模拟研究了隔膜涂覆颗粒对电极表面离子浓度分布及枝晶生长均匀性的影响，为抑制枝晶隔膜的设计提供了理论依据。最后指明了相场模拟在枝晶研究方面的不足及未来重要的研究方向。

关键词: 相场模拟, 可充电电池, 枝晶, 理论模型, 成核生长

Abstract:

Rechargeable batteries are common in key national strategic development fields, such as electric vehicles, due to their high-energy density and high-cycle stability. During repeated charging and discharging, the uneven deposition of metal ions will lead to dendrite growth on the electrode surface, the reduction of reversible capacity and internal short circuit. Dendrite formation is an extremely complex process, which involves many disciplines such as electrochemistry, thermodynamics, kinetics and crystallography. And it is affected by multiple factors such as charging conditions, compressive stress, battery composition, temperature, magnetic field and so on. This paper systematically summarizes the theoretical models involved in dendrite nucleation and growth, comprehensively reviews the phase-field simulations in battery dendrites. The effects of charging condition, stress, external pressure and ion distribution on dendrite growth are discussed, and the research paradigm of electrochemical phase-field simulation in the field of battery dendrite is given. Subsequently, we apply an electrochemical phase-field model to investigate the influence of separator surface coating on ion distribution and dendrite growth uniformity. This work provides a theoretical basis for the design of dendrite inhibiting separator. Finally, the shortcomings of current phase-field simulations and future research directions are pointed out.

Key words: phase-field simulation, rechargeable batteries, dendrite, theoretical model, nucleation and growth

中图分类号:

TM 911

李亚捷, 张更, 沙立婷, 赵伟, 陈斌, 王达, 喻嘉, 施思齐. 可充电电池中枝晶问题的相场模拟[J]. 储能科学与技术, 2022, 11(3): 929-938.

Yajie LI, Geng ZHANG, Liting SHA, Wei ZHAO, Bin CHEN, Da WANG, Jia YU, Siqi SHI. Phase-field simulation of dendrite growth in rechargeable batteries[J]. Energy Storage Science and Technology, 2022, 11(3): 929-938.

图/表 3

参考文献 43

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可充电电池中枝晶问题的相场模拟

Phase-field simulation of dendrite growth in rechargeable batteries

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