电化学
离子
空位缺陷
钾
电极
粒径
锰
粒子(生态学)
密度泛函理论
无机化学
扩散
化学
材料科学
物理化学
结晶学
计算化学
热力学
有机化学
地质学
物理
海洋学
作者
Tomooki Hosaka,Taiga Fukabori,Hiroki Kojima,Kei Kubota,Shinichi Komaba
出处
期刊:Chemsuschem
[Wiley]
日期:2021-01-14
卷期号:14 (4): 1166-1175
被引量:39
标识
DOI:10.1002/cssc.202002628
摘要
Abstract Potassium manganese hexacyanoferrate (KMnHCF) can be used as a positive electrode for potassium‐ion batteries because of its high energy density. The effect of particle size and [Fe(CN) 6 ] n − vacancies on the electrochemical potassium insertion of KMnHCFs was examined through experimental data and theoretical calculations. When nearly stoichiometric KMnHCF was synthesized and tested, smaller particle sizes were found to be important for achieving superior electrochemical performance in terms of capacity and rate capability. However, even in the case of larger particles, introducing a suitable number of anion vacancies enabled KMnHCF to exhibit comparable electrode performance. Electrochemical tests and density functional theory calculations indicated that anion vacancies contribute to the enhancement of K + ion diffusion, which realizes good electrochemical performance. Structural design, including crystal vacancies and particle size, is the key to their high performance as a positive electrode.
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