高等学校化学学报2024,Vol.45Issue(9) :147-156.DOI:10.7503/cjcu20240259

锂离子电池三元正极核-壳结构的电化学-力学模拟

Electrochemical-mechanical Simulation of Ternary Cathode Materials with Core-shell Structure for Lithium-ion Batteries

苟蕾 杨哲祺 余金花 樊小勇 李东林 李辉
高等学校化学学报2024,Vol.45Issue(9) :147-156.DOI:10.7503/cjcu20240259

锂离子电池三元正极核-壳结构的电化学-力学模拟

Electrochemical-mechanical Simulation of Ternary Cathode Materials with Core-shell Structure for Lithium-ion Batteries

苟蕾 1杨哲祺 1余金花 1樊小勇 1李东林 1李辉1
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作者信息

  • 1. 长安大学材料科学与工程学院,西安 710061
  • 折叠

摘要

利用有限元模拟技术构建了电化学-力学耦合的三维多物理场锂离子电池模型,进而获得了核-壳正极在放电过程中Li+浓度、应变和应力的分布与演变情况,并研究了放电结束时不同放电倍率、壳厚度和核粒径对应变和应力的影响.结果表明,颗粒中心及核-壳界面处的应力在放电初期迅速达到最大值,然后随着Li+扩散过程的进行,应力逐渐减小.另外,黏结剂和相邻颗粒对电极应力分布有显著影响.减小放电速率和核粒径以及增加壳厚度能够降低电极中的应力.研究结果可为核-壳正极结构的设计与优化以及锂离子电池放电策略提供参考.

Abstract

Ternary cathode material LiNixCoyMnzO2(NCM)with a core-shell structure is one of the key materials for the development of lithium-ion batteries with high specific capacity and long term cycle stability.However,stress-induced mechanical failure is one of the main factors that would lead to the capacity decay of such types of electrode materials.In order to better understand the stress distribution and evolution in the core-shell structural cathode during the electrochemical reaction process,a three-dimensional multiphysics lithium-ion battery model for electrochemistry-mechanics coupling was constructed in this paper.The distribution and evolution of Li+concentration,strain and stress in the core-shell cathode during the discharge process were first obtained through the model,and then the effects of various discharge rates,shell thicknesses,and core radiuses on the strain-stress at the end of the discharge were investigated.The results show that stresses at the centre of the particle and the core-shell interface rapidly reach their maximum at the beginning of the discharge,and then undergo a gradual decreasing process with the prolonged diffusion process of Li+.The binder and neighboring particles have significant effects on the stress distribution in this cathode.Decreasing the discharge rate and core radius,as well as increasing the shell thickness,can reduce the stress in the cathode.The obtained conclusions can provide a reference for the design and optimization of core-shell cathode structures as well as discharge strategies for lithium-ion batteries.

关键词

锂离子电池/核-壳结构/有限元/电化学/扩散应力

Key words

Lithium-ion battery/Core-shell structure/Finite element/Electrochemistry/Diffusion stress

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基金项目

国家自然科学基金(22179011)

咸阳市秦创原科技创新专项(L 2022-QCYZX-GY-005)

陕西省重点研发计划项目(2023-YBGY-445)

陕西省教育厅服务地方专项计划项目(22JE001)

出版年

2024
高等学校化学学报
中华人民共和国教育部委托 吉林大学和南开大学

高等学校化学学报

CSTPCDCSCD北大核心
影响因子:1.067
ISSN:0251-0790
参考文献量30
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