Pramanik Atin, Manche Alexis G, Sougrati Moulay Tahar, Chadwick Alan V, Lightfoot Philip, Armstrong A Robert
School of Chemistry, University of St. Andrews, Fife, St. Andrews KY16 9ST, United Kingdom.
The Faraday Institution, Quad One, Harwell Science and Innovation Campus, Didcot OX11 0RA, United Kingdom.
Chem Mater. 2023 Mar 13;35(6):2600-2611. doi: 10.1021/acs.chemmater.3c00063. eCollection 2023 Mar 28.
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, KFe(CO) is shown to be a promising new cathode material that combines metal redox activity with oxalate anion (CO ) redox. This compound reveals specific discharge capacities of 116 and 60 mAh g for sodium-ion batterie (NIB) and lithium-ion batterie (LIB) cathode applications, respectively, at a rate of 10 mA g, with excellent cycling stability. The experimental results are complemented by density functional theory (DFT) calculations of the average atomic charges.
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首要任务。引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阴极能量密度的一种有前景的策略。在此，KFe(CO)被证明是一种有前景的新型阴极材料，它将金属氧化还原活性与草酸根阴离子(CO)氧化还原相结合。该化合物在10 mA g的电流密度下，分别作为钠离子电池(NIB)和锂离子电池(LIB)阴极应用时，比放电容量分别为116和60 mAh g，具有优异的循环稳定性。实验结果通过平均原子电荷的密度泛函理论(DFT)计算得到补充。
