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Hollandite-Type VO_(1.75)(OH)_(0.5): Effective Sodium Storage for High-Performance Sodium-Ion Batteries

机译:荷兰特型VO_(1.75)(OH)_(0.5):高性能钠离子电池的有效钠储存

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摘要

Nanosized hollandite-type VO1.75(OH)(0.5) is introduced as a novel cathode material for Na-ion batteries. Structural investigation based on X-ray diffraction and Rietveld refinement suggests the presence of numerous vacant sites for Na+ intercalation in the VO1.75(OH)(0.5) structure. All of the possible Na+ sites and tunnel-type Na+ diffusion pathways along the c-axis are confirmed by bond-valence-sum analyses. The nanosized hollandite-type VO1.75(OH)(0.5) delivers an unexpectedly high specific capacity of approximate to 351 mAh g(-1) at 15.5 mA g(-1) in the voltage range of 1.0-3.7 V (vs Na+/Na), which agrees well with the results predicted by first-principles calculations. In addition, combined studies using first-principles calculations and several experimental techniques including in situ operando X-ray diffraction and ex situ X-ray absorption spectroscopy confirm that the nanosized hollandite-type VO1.75(OH)(0.5) undergoes a single-phase reaction with a capacity retention of 71% over 200 cycles. Furthermore, the open structure and nanosized particles of hollandite-type VO1.75(OH)(0.5) contribute to its excellent power capability with 56% of the capacity measured at 0.05 C being delivered at 7 C.
机译:将纳米荷兰钛矿型VO1.75(OH)(0.5)作为Na离子电池作为新型阴极材料。基于X射线衍射和RIETVELD细化的结构研究表明,VO1.75(OH)结构中Na +嵌入的许多空位位点存在。沿C轴的所有可能的Na +位点和隧道型Na +扩散途径通过键合价和分析确认。纳米化荷兰钛矿型VO1.75(OH)(0.5)在1.0-3.7V的电压范围内以15.5 mA g(-1)在15.5 mA g(-1)中的意外高比容量(Vs na + / na),它与通过第一原理计算预测的结果吻合良好。此外,使用第一原理计算的组合研究和几种实验技术,包括原位手术数X射线衍射和出原位X射线吸收光谱证实,纳米型荷兰钛矿型VO1.75(OH)(0.5)经历单一 - 相反应的容量保持71%超过200次循环。此外,荷兰钛矿型VO1.75(OH)(0.5)的开放结构和纳米粒子颗粒有助于其优异的功率能力,其中56%的容量在0.05℃下在7℃下递送。

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