TiNb₂₄O₆₂ with large theoretical capacity and safe working potential is regarded as a candidate for lithium ion batteries. However, poor electronic conductivity of TiNb₂₄O₆₂ restricts its widely application. Herein, we propose a novel methodology concerned about nitrogen-doped carbon coating to improve the electrochemical performance of TiNb₂₄O₆₂ nanowires. According to a series of analyses, it is found that nitrogen-doped carbon coating plays a key role on improving the electronic conductivity and electrochemical activity of TiNb₂₄O₆₂ nanowires. Meanwhile, both first principles calculations and in-situ XRD technique are applied to realize the structural evolution of nitrogen-doped carbon coated TiNb₂₄O₆₂ nanowires. The obtained results show a high diffusion channel for lithium ions in the lattice of TiNb₂₄O₆₂ and the good electrochemical reversibility of nitrogen-doped carbon coated TiNb₂₄O₆₂ nanowires. In addition, a full lithium ion battery is assembled by using nitrogen-doped carbon coated TiNb₂₄O₆₂ nanowires as anode and LiFePO₄ as cathode. Such a cell can deliver a high capacity, indicative of a great potential for practical applications. Therefore, nitrogen-doped carbon coated TiNb₂₄O₆₂ nanowires can be a promising anode for high-rate lithium ion batteries.

具有大的理论容量和安全的工作潜力的TiNb ₂₄ O ₆₂被认为是锂离子电池的候选材料。但是，TiNb ₂₄ O _62的差的电导率限制了其广泛的应用。在这里，我们提出了一种新的方法，涉及氮掺杂碳涂层，以改善TiNb ₂₄ O ₆₂纳米线的电化学性能。根据一系列分析，发现氮掺杂碳涂层在改善TiNb ₂₄ O ₆₂的电子电导率和电化学活性方面起着关键作用。纳米线。同时，采用第一性原理计算和原位XRD技术来实现氮掺杂碳包覆TiNb ₂₄ O ₆₂纳米线的结构演化。所得结果表明，TiNb ₂₄ O ₆₂晶格中锂离子的扩散通道较高，并且氮掺杂碳包覆的TiNb ₂₄ O ₆₂纳米线具有良好的电化学可逆性。此外，通过使用氮掺杂碳包覆的TiNb ₂₄ O ₆₂纳米线作为阳极和LiFePO ₄组装完整的锂离子电池作为阴极。这样的电池可以输送高容量，这表明其在实际应用中具有很大的潜力。因此，氮掺杂碳包覆的TiNb ₂₄ O ₆₂纳米线可以成为高速率锂离子电池的有希望的阳极。