在Na3V2 (PO4) 中化/脱过程中的结构演变的原子尺度调查 - 基于全固态电池
Fang-Chun Shen1, Qianli Ma2, Frank Tietz2
1Department of Materials Science and Engineering, National Yang Ming Chiao Tung University, Hsinchu, 30010, Taiwan.
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
|September 6, 2023
概括
所有固态电池使用Na3V2(PO4) 3阴极. 一个中间Na2V2(PO4) 3相增强结构稳定性和离子动力学,提高电池性能.
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:
- 全固态电池 (Na-ASSB) 提供了更高的安全性和能量密度.
- 由于其高容量和稳定性,使用NASICON结构的Na3V2(PO4)3 (Na3VP) 阴极的Na-ASSB显示出有希望的结果.
- 这些阴极内的详细的电化学动力学仍然在很大程度上未被阐明.
研究的目的:
- 在原子层面研究 Na3VP 阴极的化/脱机制.
- 了解Na3VP在电化学性能中的中间阶段的作用.
- 阐明Na3VP在循环过程中的动力学和结构演变.
主要方法:
- 现场高分辨率传输电子显微镜 (HRTEM) 用于观察动态结构变化.
- 密度函数理论 (DFT) 计算分析离子迁移和形成能量.
- 在循环后分析体积变化和电极-电解质接口.
主要成果:
- 在化/脱过程中,在原子尺度上观察到中间的Na2V2(PO4) 3 (Na2VP) 阶段.
- 发现Na2VP阶段可以减少晶格不匹配,防止结构崩并提高稳定性.
- DFT计算显示,Na2VP结构中的Na+离子迁移速度更快,增强了动力学.
- Na2VP阶段的形成降低了NaVP的形成能量,进一步稳定了结构.
结论:
- Na3VP结构的动态演变包括形成一个关键的Na2VP中间阶段.
- 这个中间阶段对于缓解结构崩和增强离子运输动力学至关重要.
- 这些发现为先进的储能应用提供了对电极材料行为的基本见解.
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