Lattice-Cell Orientation Disorder in Complex Spinel Oxides

Yan Chen, Yongqiang Cheng, Juchuan Li, Mikhail Feygenson, William T. Heller, Chengdu Liang, Ke An

Research output: Contribution to journalArticlepeer-review

24 Scopus citations

Abstract

Transition metal (TM) substitution has been widely applied to change complex oxides crystal structures to create high energy density electrodes materials in high performance rechargeable lithium-ion batteries. The complex local structure in the oxides imparted by the TM arrangement often impacts their electrochemical behaviors by influencing the diffusion and intercalation of lithium. Here, a major discrepancy is demonstrated between the global and local structures of the promising high energy density and high voltage LiNi0.5Mn1.5O4 spinel cathode material that contradicts the existing structural models. A new single-phase lattice-cell orientation disorder model is proposed as the mechanism for the local ordering that explains how the inhomogeneous local distortions and the coherent connection give rise to the global structure in the complex oxide. Further, the single-phase model is consistent with the electrochemical behavior observation of the materials.

Original languageEnglish
Article number1601950
JournalAdvanced Energy Materials
Volume7
Issue number4
DOIs
StatePublished - Feb 22 2017

Keywords

  • disorder
  • energy storage
  • neutron scattering
  • pair distribution function
  • spinel

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