在和丰富的阴极中堆叠故障和域连接的原子结构特征
Peng Zuo1, Pavan Badami2, Subhadip Mallick2
1Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99354, United States.
和丰富的层氧化物 (LMR) 呈现出两种晶体对称性,C2/m和R3̅m. 这项研究揭示了使用STEM-iDPC的LMR中的突然域连接和随机堆叠故障,为电池阴极材料提供了洞察力.
科学领域:
- 材料科学 材料科学 材料科学
- 电化学 电化学 电化学
- 固态化学 固态化学
背景情况:
- 和丰富的层氧化物 (LMR) 是离子电池的有希望的地球丰富的阴极材料.
- 最低限度残留量以两种不同的对称性结晶:C2/m (类似Li2MnO3) 和R3̅m (类似LiNixMnyO2).
- 了解这些域在单粒内的空间相关性和堆叠故障行为对于优化电池性能至关重要.
研究的目的:
- 研究LMR中域连接和堆叠故障的原子尺度结构和组成细节.
- 为了阐明C2/m和R3̅m域之间的关系,在一个原型的无LMR材料内.
- 为了证明STEM-iDPC对分析复杂的氧化物结构的实用性.
主要方法:
- 在扫描传输电子显微镜 (STEM-iDPC) 中使用集成差分相对比成像.
- 在原子层面探测了结构和组成细节.
- 分析了一种原型的没有的LMR材料:0.3Li2MnO3·0.7LiMn0.5Ni0.5O2 (Li1.13Mn0.57Ni0.3O2).
主要成果:
- 确定了C2/m和R3̅m域之间的突然连接,归因于最小的格子不匹配.
- 观察到原子平面在C2/m堆叠断层中移动,解释了它们的随机排列.
- 发现了与C2/m堆叠故障相关的局部破坏机制.
- 证实了Ni和Mn在Li2MnO3域内的过渡金属位点的共存.
结论:
- STEM-iDPC对于捕获元素分布和揭示LMR中原子级结构特征非常有效.
- 这些发现为LMR阴极材料中的结构复杂性和域相互作用提供了基本的见解.
- 这项工作促进了对LMR结构-属性关系的理解,以改进电池设计.
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