K2Fe(C2O4)2: An Oxalate Cathode for Li/Na-Ion Batteries Exhibiting a Combination of Multielectron Cation and Anion Redox,Chemistry of Materials

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K2Fe(C2O4)2: An Oxalate Cathode for Li/Na-Ion Batteries Exhibiting a Combination of Multielectron Cation and Anion Redox
Chemistry of Materials ( IF 7.2 ) Pub Date : 2023-03-13 , DOI: 10.1021/acs.chemmater.3c00063
Atin Pramanik ₁ , Alexis G Manche _{1,

2} , Moulay Tahar Sougrati _{3,

4} , Alan V Chadwick _{4,

5} , Philip Lightfoot ₁ , A Robert Armstrong _{1,

2,

4}

Affiliation

The development of multielectron redox-active cathode materials is a top priority for achieving high energy density with long cycle life in the next-generation secondary battery applications. Triggering anion redox activity is regarded as a promising strategy to enhance the energy density of polyanionic cathodes for Li/Na-ion batteries. Herein, K₂Fe(C₂O₄)₂ is shown to be a promising new cathode material that combines metal redox activity with oxalate anion (C₂O₄^2–) redox. This compound reveals specific discharge capacities of 116 and 60 mAh g^–1 for sodium-ion batterie (NIB) and lithium-ion batterie (LIB) cathode applications, respectively, at a rate of 10 mA g^–1, with excellent cycling stability. The experimental results are complemented by density functional theory (DFT) calculations of the average atomic charges.

中文翻译：

K2Fe(C2O4)2：一种用于锂/钠离子电池的草酸盐阴极，表现出多电子阳离子和阴离子氧化还原的结合

开发多电子氧化还原活性阴极材料是在下一代二次电池应用中实现高能量密度和长循环寿命的重中之重。触发阴离子氧化还原活性被认为是提高锂/钠离子电池聚阴离子正极能量密度的一种有前途的策略。在此，K ₂ Fe(C ₂ O ₄ ) ₂被证明是一种很有前途的新型正极材料，它将金属氧化还原活性与草酸盐阴离子 (C ₂ O ₄^2– ) 氧化还原相结合。该化合物的放电比容量分别为 116 和 60 mAh g ^–1分别用于钠离子电池 (NIB) 和锂离子电池 (LIB) 阴极应用，倍率为 10 mA g ^–1，具有出色的循环稳定性。实验结果由平均原子电荷的密度泛函理论 (DFT) 计算补充。

更新日期：2023-03-13

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