Synthesis and Theoretical Modeling of Suitable Co-precipitation Conditions for Producing NMC111 Cathode Material for Lithium-Ion Batteries
Synthesis and Theoretical Modeling of Suitable Co-precipitation Conditions for Producing NMC111 Cathode Material for Lithium-Ion Batteries
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DOI：
10.1021/acs.energyfuels.2c01805
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发表时间：
2022-09
期刊：
影响因子：
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通讯作者：
Jethrine H. Mugumya;M. Rasche;Robert F. Rafferty;Arjun Patel;S. Mallick;Mingyao Mou;J. A. Bobb;Ram B. Gupta;Mo Jiang
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文献类型：
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作者：
Jethrine H. Mugumya;M. Rasche;Robert F. Rafferty;Arjun Patel;S. Mallick;Mingyao Mou;J. A. Bobb;Ram B. Gupta;Mo Jiang
锂镍锰钴氧化物(NMC111)被认为是最有前途的商用锂离子电池正极材料之一。在NMC111的各种合成方法中，氢氧化物共沉淀法和锂离子共沉淀法是最具成本效益和可扩展性的方法。共沉淀产物的物理和化学性质，如产率、颗粒大小、形态和敲击密度，取决于不同的反应参数，包括pH、螯合剂、金属盐浓度和搅拌速度。因此，迫切需要详细的理论和实验模型来了解粒子性质和反应条件之间的相互关系，并对这些参数进行优化。在这项研究中，通过理论模拟分析了不同的NH4OH浓度和不同的pH对NMC(OH)2产品产率的影响。实验结果表明，当pH值为11.5，NH4OH浓度为0.02M时，产物的振实密度最高。选择了三种不同敲击密度值的氢氧化物前驱体进行锂化，并将其应用于硬币电池的制备。具有最高敲击密度的NMC(OH)2前驱体在0.1C时的比容量最高，为155mAHg-1，在5℃时的比容为78.6mAHg-1。
Lithium nickel manganese cobalt oxide (NMC111) is considered to be one of the most promising cathode materials for commercial lithium-ion battery (LIB) fabrication. Among the various synthesis procedures of NMC111, hydroxide co-precipitation followed by lithiation is the most cost-effective and scalable method. Physical and chemical properties of the co-precipitation product such as yield, particle size, morphology, and tap density, depend upon the various reaction parameters, which include pH, chelating agents, metal salt concentrations, and stirring speed. As a consequence, detailed theoretical and experimental modeling is critically required to not only understand the interdependence between the particle properties and reaction conditions but also optimize these parameters. In this study, theoretical modeling was performed to analyze the role of various NH4OH concentrations with varying pH on the yield of the NMC(OH)2product. From the experimental findings, it was observed that the product obtained at a pH of 11.5 and NH4OH concentration of 0.02 M possessed the highest tap density. Three of the hydroxide precursors with different tap density values were chosen to lithiate and were applied for coin cell fabrication. The NMC(OH)2precursor with the highest tap density had the highest specific capacity of 155 mAh g–1at 0.1 C and retained up to 78.6 mAh g–1at 5 C. The variation of the Li+diffusion coefficient for the three selected materials was also studied using electrochemical impedance analysis.