Cheng Xiaolu, Wei Hezhuan, Hao Weijian, Li Huiyu, Si Huinan, An Shengli, Zhu Wentao, Jia Guixiao, Qiu Xinping
Key Laboratory of Organic Optoelectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing, 100084, P.R. China.
School of Materials and Metallurgy, Inner Mongolia University of Science and Technology, Baotou, Inner Mongolia, 014010, P.R. China.
ChemSusChem. 2019 Mar 21;12(6):1162-1168. doi: 10.1002/cssc.201802436. Epub 2019 Feb 25.
Lithium-rich, Mn-based layered oxides Li MnO -LiMO (M=Ni, Co) have been considered as promising cathode candidates owing to their high capacity. However, the resources shortage and high price of cobalt make it imperious to substitute cobalt with other high-abundance elements. Here, we synthesized a low-cost, cobalt-free, Fe-substituted oxide material, Li(Li Ni Fe Mn )O . It exhibited a high reversible capacity of 169.2 mAh g after 100 cycles and maintained an extraordinarily high discharge potential during cycling. X-ray photoelectron spectroscopy and DFT calculations revealed that super iron Fe exists in the delithiated state, and oxygen participates in the redox reaction in addition to the Ni /Ni and Fe /Fe redox couples. The anionic oxidation preferentially occurred on oxygen with a Li-O-Li configuration and with oxidized Fe and Ni coordination.
富锂锰基层状氧化物LiMnO-LiMO（M = Ni，Co）因其高容量而被认为是有前景的阴极候选材料。然而，钴的资源短缺和高价格使得用其他高丰度元素替代钴变得迫切。在此，我们合成了一种低成本、无钴、铁取代的氧化物材料Li(LiNiFeMn)O。在100次循环后，它表现出169.2 mAh g的高可逆容量，并且在循环过程中保持了极高的放电电位。X射线光电子能谱和密度泛函理论计算表明，超铁Fe以脱锂状态存在，除了Ni/Ni和Fe/Fe氧化还原对之外，氧还参与氧化还原反应。阴离子氧化优先发生在具有Li-O-Li构型且与氧化的Fe和Ni配位的氧上。
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