Analytical Design of Electrode Particle Debonding for Battery Applications

IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Modelling and Simulation in Materials Science and Engineering Pub Date : 2024-07-04 DOI:10.1088/1361-651x/ad5f49
A. S. Mitra, Abraham Anapolsky, Edwin Garcia
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Abstract

A physics-based analytical methodology is presented to describe the debonding of a statistically representative electrochemically active particle from the surrounding binder-electrolyte matrix in a porous electrode. The proposed framework enables to determine the space of C-Rates and electrode particle radii that suppresses or enhances debonding and is graphically summarized into maps where four debonding mechanisms were identified: a) the spontaneous debonding mechanism, which occurs when the electrode particle spontaneously detaches from the matrix; b) the continuous debonding mechanism, which occurs when the electrode particle gradually loses contact with the surrounding matrix; c) the electrochemical cycling fatigue mechanism, which causes gradual growth of the flaw due to electrochemical cycling; and d) the microstructural debonding mechanism, which is a result of the microstructural stochastics of the electrode and is embodied in terms of the debonding probability of particles. The critical C-Rates for debonding demonstrate a mechanism-dependent power-law relation with respect to the particle radius, which enables the experimental identification of the failure mechanism thereby providing a context to formulate design strategies to minimize debonding and provide robust, physics-based, phenomenological, and statistics-based estimates for electrochemically driven failure.
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电池应用中电极颗粒脱粘的分析设计
本文提出了一种基于物理学的分析方法,用于描述多孔电极中具有统计代表性的电化学活性粒子与周围粘结剂-电解质基质的脱粘现象。所提出的框架能够确定抑制或增强脱落的 C 速率和电极颗粒半径空间,并以图形方式总结成地图,其中确定了四种脱落机制:a) 自发脱粘机制,即电极颗粒自发脱离基体;b) 连续脱粘机制,即电极颗粒逐渐失去与周围基体的接触;c) 电化学循环疲劳机制,即电化学循环导致缺陷逐渐增大;d) 微结构脱粘机制,即电极微结构随机性的结果,体现为颗粒的脱粘概率。脱粘的临界 C-Rates(C-速率)显示了与颗粒半径相关的幂律关系,这使得失效机制的实验鉴定成为可能,从而为制定设计策略提供了背景,以最大限度地减少脱粘,并为电化学驱动的失效提供可靠的、基于物理学、现象学和统计学的估计。
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来源期刊
CiteScore
3.30
自引率
5.60%
发文量
96
审稿时长
1.7 months
期刊介绍: Serving the multidisciplinary materials community, the journal aims to publish new research work that advances the understanding and prediction of material behaviour at scales from atomistic to macroscopic through modelling and simulation. Subject coverage: Modelling and/or simulation across materials science that emphasizes fundamental materials issues advancing the understanding and prediction of material behaviour. Interdisciplinary research that tackles challenging and complex materials problems where the governing phenomena may span different scales of materials behaviour, with an emphasis on the development of quantitative approaches to explain and predict experimental observations. Material processing that advances the fundamental materials science and engineering underpinning the connection between processing and properties. Covering all classes of materials, and mechanical, microstructural, electronic, chemical, biological, and optical properties.
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