Manganese based layered oxides with modulated electronic and thermodynamic properties for sodium ion batteries

Kai Zhang, Duho Kim, Zhe Hu, Mihui Park, Gahee Noh, Yujeong Yang, Jing Zhang, Vincent Wing hei Lau, Shu Lei Chou, Maenghyo Cho, Si Young Choi, Yong Mook Kang

研究成果: Article同行評審

215 引文 斯高帕斯(Scopus)

摘要

Manganese based layered oxides have received increasing attention as cathode materials for sodium ion batteries due to their high theoretical capacities and good sodium ion conductivities. However, the Jahn–Teller distortion arising from the manganese (III) centers destabilizes the host structure and deteriorates the cycling life. Herein, we report that zinc-doped Na 0.833 [Li 0.25 Mn 0.75 ]O 2 can not only suppress the Jahn–Teller effect but also reduce the inherent phase separations. The reduction of manganese (III) amount in the zinc-doped sample, as predicted by first-principles calculations, has been confirmed by its high binding energies and the reduced octahedral structural variations. In the viewpoint of thermodynamics, the zinc-doped sample has lower formation energy, more stable ground states, and fewer spinodal decomposition regions than those of the undoped sample, all of which make it charge or discharge without any phase transition. Hence, the zinc-doped sample shows superior cycling performance, demonstrating that zinc doping is an effective strategy for developing high-performance layered cathode materials.

原文English
文章編號5203
期刊Nature communications
10
發行號1
DOIs
出版狀態Published - 2019 12月 1

All Science Journal Classification (ASJC) codes

  • 一般化學
  • 一般生物化學,遺傳學和分子生物學
  • 多學科
  • 一般物理與天文學

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