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用于离子电池的多层氧化物材料的合理设计

Chenglong Zhao^1,2, Qidi Wang^3,4, Zhenpeng Yao⁵

¹Key Laboratory for Renewable Energy, Beijing Key Laboratory for New Energy Materials and Devices, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.

Science (New York, N.Y.)

|November 6, 2020

概括

科学家开发了一种"阴离子潜力"来预测离子电池电极材料的结构. 这种方法有助于设计高性能分层氧化物用于电网规模的储能.

科学领域:

材料科学
电化学
能量储存

背景情况:

由于的丰富性,离子电池对电网规模的存储非常有希望.
有层的氧化物电极材料是关键的,但它们的性能受到构成复杂性的限制.
在这些材料中预测结构属性关系是具有挑战性的.

研究的目的:

开发一种预测方法,以了解层级材料中的构成驱动结构化学.
使离子电池的新型电极材料的合理设计成为可能.
提高金属层氧化物的电化学性能.

主要方法:

引入"阴离子潜力"概念来量化层级材料中的相互作用.
使用阴离子潜力来预测材料堆叠结构.
基于预测的分层电极材料的实验设计和合成.

主要成果:

阴离子潜能有效地预测了分层材料的堆叠结构.
设计的电极材料具有增强的电化学性能.
通过构成来定制结构化学的方法.

结论:

阴离子潜力是预测和控制层级材料结构化学的强大工具.
这种方法有助于合理设计高性能金属层氧化物用于储能.
提供了克服当前离子电池电极材料的途径.

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