Multiscale Lithium-Battery Modeling from Materials to Cells.

IF 7.6 2区 工程技术 Q1 CHEMISTRY, APPLIED
Guanchen Li, Charles W Monroe
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引用次数: 26

Abstract

New experimental technology and theoretical approaches have advanced battery research across length scales ranging from the molecular to the macroscopic. Direct observations of nanoscale phenomena and atomistic simulations have enhanced the understanding of the fundamental electrochemical processes that occur in battery materials. This vast and ever-growing pool of microscopic data brings with it the challenge of isolating crucial performance-decisive physical parameters, an effort that often requires the consideration of intricate interactions across very different length scales and timescales. Effective physics-based battery modeling emphasizes the cross-scale perspective, with the aim of showing how nanoscale physicochemical phenomena affect device performance. This review surveys the methods researchers have used to bridge the gap between the nanoscale and the macroscale. We highlight the modeling of properties or phenomena that have direct and considerable impact on battery performance metrics, such as open-circuit voltage and charge/discharge overpotentials. Particular emphasis is given to thermodynamically rigorous multiphysics models that incorporate coupling between materials' mechanical and electrochemical states.

从材料到电池的多尺度锂电池建模。
新的实验技术和理论方法推动了电池从分子到宏观的跨越长度尺度的研究。纳米级现象的直接观察和原子模拟增强了对电池材料中发生的基本电化学过程的理解。这一庞大且不断增长的微观数据池带来了分离关键性能决定物理参数的挑战,这一努力通常需要考虑在非常不同的长度尺度和时间尺度上复杂的相互作用。有效的基于物理的电池建模强调跨尺度的视角,目的是展示纳米尺度的物理化学现象如何影响设备性能。本文综述了研究人员用来弥合纳米尺度和宏观尺度之间差距的方法。我们强调了对电池性能指标有直接和相当大影响的特性或现象的建模,例如开路电压和充放电过电位。特别强调了热力学严格的多物理场模型,包括材料的力学和电化学状态之间的耦合。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Annual review of chemical and biomolecular engineering
Annual review of chemical and biomolecular engineering CHEMISTRY, APPLIED-ENGINEERING, CHEMICAL
CiteScore
16.00
自引率
0.00%
发文量
25
期刊介绍: The Annual Review of Chemical and Biomolecular Engineering aims to provide a perspective on the broad field of chemical (and related) engineering. The journal draws from disciplines as diverse as biology, physics, and engineering, with development of chemical products and processes as the unifying theme.
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