Ti-Doped Co-Free Li1.2Mn0.6Ni0.2O2 Cathode Materials with Enhanced Electrochemical Performance for Lithium-Ion Batteries

Sining Liu, Xin Yan, Pengyu Li, Xinru Tian, Sinan Li, Yunwen Tao, Pengwei Li, Shaohua Luo
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Abstract

Cobalt-free manganese-based lithium-rich layered oxides (LLOs) have garnered research attention as prospective lithium-ion cathode materials owing to their large specific capacity and low price. However, their large-scale application is hindered by their low Coulombic efficiency, poor cycling performance, voltage attenuation, and structural phase transition. To address these issues, the LLO structure is modified via Ti doping at the manganese site herein. Ti-doped Li1.2Mn0.6−xTixNi0.2O2 (x = 0, 0.03, 0.05, 0.10, and 0.15) is prepared using the high-temperature solid-state method. The Ti-doped Li1.2Mn0.6Ni0.2O2 is calculated via first principles. The results show that Ti4+ doping improves the cycle stability and rate performance of Li1.2Mn0.6Ni0.2O2. Electrochemical test results show that the sample exhibits enhanced electrochemical performance when the Ti doping amount is 0.05. The discharge specific capacity at 0.1C is 210.4 mAh·g−1, which reaches 191.1 mAh·g−1 after 100 cycles, with a capacity retention rate of 90.7%. This study proves the feasibility of using cheap cobalt-free LLOs as cathode materials for LIBs and provides a novel system for exploiting low-cost and high-performance cathode materials.
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掺钛的无共价 Li1.2Mn0.6Ni0.2O2 阴极材料可提高锂离子电池的电化学性能
无钴锰基富锂层状氧化物(LLOs)因其比容量大、价格低廉而作为前景广阔的锂离子正极材料备受研究关注。然而,库仑效率低、循环性能差、电压衰减和结构相变等问题阻碍了它们的大规模应用。为了解决这些问题,本文通过在锰位点掺杂钛来改变 LLO 结构。掺钛 Li1.2Mn0.6-xTixNi0.2O2 (x = 0、0.03、0.05、0.10 和 0.15)采用高温固态法制备。通过第一性原理计算了掺钛的 Li1.2Mn0.6Ni0.2O2。结果表明,掺杂 Ti4+ 提高了 Li1.2Mn0.6Ni0.2O2 的循环稳定性和速率性能。电化学测试结果表明,当 Ti 掺杂量为 0.05 时,样品的电化学性能有所提高。0.1C 时的放电比容量为 210.4 mAh-g-1,循环 100 次后达到 191.1 mAh-g-1,容量保持率为 90.7%。这项研究证明了使用廉价的无钴 LLOs 作为 LIB 阴极材料的可行性,并为开发低成本、高性能的阴极材料提供了一个新的系统。
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