在各种晶体结构中对离子扩散产生应变效应
Bicong Liu1, Jiamin Guo1, Xiao Gu1
1School of Physical Science and Technology, Ningbo University, Ningbo 315211, China. guxiao@nbu.edu.cn.
Physical chemistry chemical physics : PCCP
|July 6, 2023
概括
拉力应变通过改变激活能来增强离子电池电极中的扩散. 在平面上的应变比单轴应变有更大的影响,影响电池性能.
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
- 计算材料科学科学 计算材料科学
背景情况:
- 离子电池 (LIB) 电极在运行过程中经历复杂的机械力和体积变化.
- 这些机械应力显著影响了LIBs的电化学性能和寿命.
研究的目的:
- 为了研究体积应变对各种LIB电极结构内的 (Li) 扩散的影响.
- 了解机械电化学合对扩散动力学的影响.
主要方法:
- 对面中心立方体 (Li3M,Li2MN,Li2MNY6,Li3MY6) 和常规结构 (橄,螺旋,LISICON,分层) 的扩散激活能量的分析.
- 在不同的拉力和单轴应变条件下进行了模拟.
主要成果:
- 张力应变被发现有利于在所有分析的结构中扩散.
- 与单轴应变相比,平面应变对扩散有更明显的影响.
- 过渡金属价值的压力诱导的变化显著影响了扩散率.
结论:
- 机械应变,特别是拉力和内平面应变,是控制LIB电极中扩散的关键因素.
- 了解这些机电化学合对于设计高性能和耐用的LIB来说至关重要.
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