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目前锂离子电池电极材料主要使用无机材料.近年来有机物电极材料虽有报道,但这些材料大都比容量低、倍率性能差.本文介绍一类新型有机金属配合物聚吡咯-过渡金属-氧储锂材料的合成、结构及电化学性能.结合扩展X-射线吸收精细结构谱分析和密度泛函理论计算,发现这类材料呈现多层结构特征,层内稳定的过渡金属-吡咯N的配位作用及循环过程中层间过渡金属-氧键的可逆断裂和结合使该类材料具有很高的储锂容量和循环稳定性,且聚吡咯导电网络使得该材料具有良好的倍率性能.这类新材料将有望成为锂离子电池的高比容量负极材料.
At present, inorganic materials are mainly used as electrode materials for lithium-ion batteries, and although most organic electrode materials have been reported in recent years, most of these materials have low specific capacity and poor rate performance.In this paper, a new type of organo-metal complex polypyrrole-transition metal-oxygen lithium The synthesis, structure and electrochemical properties of the materials were investigated.According to the results of extended X-ray absorption structure analysis and density functional theory calculations, it was found that these materials exhibit multi-layer structure and the coordination of the stable transition metal-pyrrole N And the reversible rupture and combination of intermetallic transition metal-oxygen bonds in the cycle make this kind of material have high lithium storage capacity and cycle stability, and the polypyrrole conductive network makes the material have good rate performance. It is expected to become a high specific capacity cathode material for lithium-ion batteries.