Bristisnata Kashyap, Dimple P. Dutta, B. Modak, Sanjay Kumar and Balaji R. Ravuri
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引用次数: 0
Abstract
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.
锰酸钠是一种极有价值的钠离子电池正极材料。通过改变Na, Mn和O的化学计量,可以获得层状,隧道和尖晶石型结构,可以承受电化学触发的钠化-脱钠过程。在这项工作中,我们报告了Na4Mn2O5的电化学性能,Na4Mn2O5是一种富含钠的氧化锰,以前曾报道过由于Mn3+离子的Jahn-Teller畸变而导致结构不稳定。结果表明,掺杂Zr4+离子的Na4Mn2−xZrxO5 (x = 0.1)阴极在250次循环后的放电容量为~ 203 mA h g−1,容量保持率为~ 82.8%。循环能力和速率能力的提高是由于Zr4+取代Mn3+提高了Na4Mn2O5的结构稳定性和电子导电性。基于密度泛函理论的研究充分支持了所得结果。
期刊介绍:
Dalton Transactions is a journal for all areas of inorganic chemistry, which encompasses the organometallic, bioinorganic and materials chemistry of the elements, with applications including synthesis, catalysis, energy conversion/storage, electrical devices and medicine. Dalton Transactions welcomes high-quality, original submissions in all of these areas and more, where the advancement of knowledge in inorganic chemistry is significant.