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Zr4+-doped sodium manganese oxide: enhanced electrochemical performance as a cathode in sodium ion batteries
Dalton Transactions ( IF 3.5 ) Pub Date : 2024-12-05 , DOI: 10.1039/d4dt02894e Bristisnata Kashyap, Dimple P. Dutta, B. Modak, Sanjay Kumar, Balaji R. Ravuri
Dalton Transactions ( IF 3.5 ) Pub Date : 2024-12-05 , DOI: 10.1039/d4dt02894e Bristisnata Kashyap, Dimple P. Dutta, B. Modak, Sanjay Kumar, Balaji R. Ravuri
Sodium manganese oxides are regarded as a valuable class of cathode materials for sodium-ion batteries. By varying the stoichiometry of Na, Mn and O, it is possible to obtain layered, tunnel and spinel type structures, which can withstand the electrochemically-triggered sodiation–desodiation process. In this work, we report the electrochemical performance of Na4Mn2O5, a sodium-rich manganese oxide, which has been previously reported to suffer from structural instability due to the Jahn–Teller distortion of the Mn3+ ion. It was observed that the Na4Mn2−xZrxO5 (x = 0.1) cathode delivered a discharge capacity of ∼203 mA h g−1 post 250 cycles with a capacity retention rate of ∼82.8% on doping with Zr4+ ions. The improvement in cycling ability and rate capability is attributed to the enhanced structural stability and improved electronic conduction brought about by the substitution of Mn3+ by Zr4+ in Na4Mn2O5. Density functional theory-based studies were conducted, which adequately support the obtained results.
中文翻译:
Zr4+ 掺杂的锰酸钠:作为钠离子电池阴极的增强电化学性能
钠锰氧化物被认为是钠离子电池的一类有价值的正极材料。通过改变 Na、Mn 和 O 的化学计量,可以获得层状、隧道式和尖晶石型结构,这些结构可以承受电化学触发的钠化-脱钠过程。在这项工作中,我们报道了 Na 4 Mn 2 O 5 的电化学性能,Na4Mn2O5 是一种富含钠的氧化锰,之前曾报道由于 Mn3+ 离子的 Jahn-Teller 畸变而存在结构不稳定性。据观察,Na4Mn2−xZrxO5 (x = 0.1) 阴极在 250 次循环后提供 ∼203 mA h g−1 的放电容量,在 Zr4+ 掺杂时容量保持率为 ∼82.8%离子。循环能力和倍率能力的提高归因于 Na4Mn2O5 中 Zr4+ 取代 Mn3+ 带来的增强结构稳定性和改进的电子传导。进行了基于密度泛函理论的研究,这充分支持了获得的结果。
更新日期:2024-12-06
中文翻译:
Zr4+ 掺杂的锰酸钠:作为钠离子电池阴极的增强电化学性能
钠锰氧化物被认为是钠离子电池的一类有价值的正极材料。通过改变 Na、Mn 和 O 的化学计量,可以获得层状、隧道式和尖晶石型结构,这些结构可以承受电化学触发的钠化-脱钠过程。在这项工作中,我们报道了 Na 4 Mn 2 O 5 的电化学性能,Na4Mn2O5 是一种富含钠的氧化锰,之前曾报道由于 Mn3+ 离子的 Jahn-Teller 畸变而存在结构不稳定性。据观察,Na4Mn2−xZrxO5 (x = 0.1) 阴极在 250 次循环后提供 ∼203 mA h g−1 的放电容量,在 Zr4+ 掺杂时容量保持率为 ∼82.8%离子。循环能力和倍率能力的提高归因于 Na4Mn2O5 中 Zr4+ 取代 Mn3+ 带来的增强结构稳定性和改进的电子传导。进行了基于密度泛函理论的研究,这充分支持了获得的结果。