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用于离子电池的 LiFeSO₄F 阴极材料的结构稳定性和性能通过替代改进而得到改善

Zhendong Guo^1,2, Tieyan Wang¹, Mingchen Ni²

¹College of Energy and Power Engineering, Northeast Electric Power University, Jilin 132012, PR China.

Physical chemistry chemical physics : PCCP

|April 26, 2024

概括

在LiFeSO4F阴极材料中更换可以通过提高循环稳定性和导电性来提高离子电池的性能. 这一战略为开发先进的电池技术提供了一个有前途的途径.

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:

塔沃里特LiFeSO4F具有较高的离子导电性,使其成为离子电池的潜在阴极材料.
由于循环稳定性差和电子导电性低,实际应用受到阻碍.

研究的目的:

为了合成和描述用替代的LiFeSO4F阴极材料.
研究Mg替代对LiFeSO4F电子导电性,离子扩散和结构稳定的影响.
为了评估离子电池用Mg替代的LiFeSO4F的电化学性能.

主要方法:

LiMgxFe1-xSO4F (x = 0, 0.02, 0.04) 的溶热合成方法.
第一个原则计算来确定带隙和电子导电性.
Cl-NEB和BV计算以评估扩散能障碍.
电化学测试用于评估循环稳定性和速率性能.

主要成果:

替代减少了带间隙,并增加了电子导电率,达到2.5 × 10^-11 S cm^-1.
沿着 (100) 方向观测到降低的扩散能量屏障.
电气不活性Mg2+替代增强了结构稳定性.
与原始LiFeSO4F相比,用Mg替代的LiFeSO4F显示了较好的循环稳定性和速度性能.

结论:

替代是一种有效的策略,可以增强 LiFeSO4F 阴极材料的电化学特性.
电化学上不活性离子替代的使用对于开发用于离子电池的高性能LiFeSO4F至关重要.

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