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<p>Titanium niobium oxide (TiNb<sub>2</sub>O<sub>7</sub>, TNO) has become a high-performance anode material for fast-charging lithium-ion batteries due to its high specific capacity, safety advantages and stable cycling performance. Nevertheless, the material’s low electronic/ionic conductivity remains a critical challenge for commercial implementation. The present study presents a novel Ni-doping strategy for TNO that optimizes the electronic structure, achieving a remarkable improvement in lithium-ion storage performance through enhanced charge transfer and ionic diffusion. The Ni<sub>0.02</sub>-TNO anode exhibits a reversible capacity of 240.7 mAh g<sup>−1</sup> after 150 cycles at 1C, while retaining 172.9 mAh g<sup>−1</sup> even after 1000 cycles under an ultra-high rate of 10C, demonstrating exceptional long-term stability and rate capability. Furthermore, the assembled LiFePO<sub>4</sub> (LFP) ||Ni<sub>0.02</sub>-TNO pouch cell demonstrates outstanding cycling stability, with 86.9% capacity retention over 500 cycles at 1C. Density functional theory calculations reveal that Ni doping reduces the bandgap from 2.193&#xa0;eV to 0.765&#xa0;eV, thereby enhancing electronic conductivity and facilitating faster charge transfer kinetics. This work provides a viable pathway for designing advanced lithium-ion batteries with rapid-charging capability and long-term cyclability.</p>

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Ni doping regulates the electronic structure of TiNb2O7 to achieve fast lithium-ion storage

  • 期刊论文

  • 发表日期：

    2025年10月22日

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  • Jiawei Wen,
  • Songyang Zhang,
  • Jian-an Chen,
  • Xiaoming Zhang,
  • Xin Wang,
  • Guoyong Huang

摘要

Titanium niobium oxide (TiNb2O7, TNO) has become a high-performance anode material for fast-charging lithium-ion batteries due to its high specific capacity, safety advantages and stable cycling performance. Nevertheless, the material’s low electronic/ionic conductivity remains a critical challenge for commercial implementation. The present study presents a novel Ni-doping strategy for TNO that optimizes the electronic structure, achieving a remarkable improvement in lithium-ion storage performance through enhanced charge transfer and ionic diffusion. The Ni0.02-TNO anode exhibits a reversible capacity of 240.7 mAh g−1 after 150 cycles at 1C, while retaining 172.9 mAh g−1 even after 1000 cycles under an ultra-high rate of 10C, demonstrating exceptional long-term stability and rate capability. Furthermore, the assembled LiFePO4 (LFP) ||Ni0.02-TNO pouch cell demonstrates outstanding cycling stability, with 86.9% capacity retention over 500 cycles at 1C. Density functional theory calculations reveal that Ni doping reduces the bandgap from 2.193 eV to 0.765 eV, thereby enhancing electronic conductivity and facilitating faster charge transfer kinetics. This work provides a viable pathway for designing advanced lithium-ion batteries with rapid-charging capability and long-term cyclability.