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Toward design of cation transport in solid-state battery electrolytes: Structure-dynamics relationships
Current Opinion in Solid State & Materials Science ( IF 12.2 ) Pub Date : 2020-11-09 , DOI: 10.1016/j.cossms.2020.100875
Yu-Ying Lin , Adrian Xiao Bin Yong , William J. Gustafson , Colin N. Reedy , Elif Ertekin , Jessica A. Krogstad , Nicola H. Perry

Cation-conducting, solid-state electrolytes represent a burgeoning focus of battery research, offering the potential for enhanced safety profiles, durability, and wide electrochemical stability windows for high energy density. In this review, we focus primarily on the Li/Na ion conductivity as one of the requirements and limiting factors in development of solid-state electrolytes and secondarily on stability. We highlight experimental and computational methods leading to the current state of understanding of solid-state cation transport, with the goal of drawing out structure-property relationships that lead to design strategies. Topics covered include: descriptors and high-throughput search methodologies including machine learning for identification of fast cation conductors; defect chemistry and its relationship to conduction mechanisms including emerging understanding of frustration, disorder, and concerted ion migration; the impact of strain on transport; factors determining stability; and the role of microstructure and extended defects. We conclude certain sections and the overall review with an outlook for the field, offering ideas for necessary research directions to address knowledge and property gaps.



中文翻译:

固态电池电解质中阳离子迁移的设计:结构动力学关系

阳离子导电的固态电解质代表了电池研究的新兴焦点,为提高安全性,耐用性和宽的电化学稳定性窗口(提供高能量密度)提供了潜力。在这篇综述中,我们主要关注Li / Na离子电导率,这是固态电解质开发中的要求和限制因素之一,其次是稳定性。我们重点介绍了导致目前对固态阳离子传输了解的实验和计算方法,目的是绘制出导致设计策略的结构-特性关系。涵盖的主题包括:描述符和高通量搜索方法,包括用于识别快速阳离子导体的机器学习;缺陷化学及其与传导机制的关系,包括对沮丧,无序和协调的离子迁移的新认识;应变对运输的影响;决定稳定性的因素;以及微观结构和扩展缺陷的作用。我们在总结某些部分和总体回顾的同时对本领域进行了展望,为解决知识和财产差距的必要研究方向提供了思路。

更新日期:2020-11-12
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