材料科学
阴极
插层(化学)
电化学
钾
公式单位
扩散
储能
化学工程
分析化学(期刊)
功率(物理)
无机化学
热力学
电极
晶体结构
物理化学
结晶学
化学
工程类
物理
冶金
色谱法
作者
Hyun-Young Park,Hyungsub Kim,Wonseok Ko,Jae Hyeon Jo,Yongseok Lee,Jungmin Kang,In-Chul Park,Seung‐Taek Myung,Jongsoon Kim
标识
DOI:10.1016/j.ensm.2020.02.031
摘要
We introduce K4Fe3(PO4)2(P2O7) as a novel cathode material with superior electrochemical performance for K-ion batteries. First-principles calculation is used to predict the theoretical properties and detailed K+ storage mechanism of K4Fe3(PO4)2(P2O7), which are consistent with experimental results. K4Fe3(PO4)2(P2O7) exhibits a large specific discharge capacity of ~118 mAh g−1, approaching the theoretical capacity, at C/20 (1C = 120 mA g−1) in the voltage range of 2.1–4.1V (vs. K+/K), allowing ~3 mol of K+ de/intercalation per formula unit with a small volume change of ~4% during charge/discharge. Even at 5C, up to ~70% of its theoretical specific capacity is retained, and this outstanding power-capability is related to the low activation barrier energy for K+ diffusion, as verified through first-principles calculations. Furthermore, K4Fe3(PO4)2(P2O7) exhibits excellent cyclability with retention of ~82% of the initial capacity after 500 cycles at 5C. The above theoretical and experimental results suggest the feasibility of using K4Fe3(PO4)2(P2O7) as a cathode material for rechargeable potassium batteries.
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