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Title: Lattice-cell orientation disorder in complex spinel oxides

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 LiNi 0.5Mn 1.5O 4 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. As a result, the single-phase model is consistent with the electrochemical behavior observation of the materials.
Authors:
 [1] ;  [1] ;  [1] ;  [1] ;  [1] ;  [1] ;  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Advanced Energy Materials
Additional Journal Information:
Journal Volume: 7; Journal Issue: 4; Journal ID: ISSN 1614-6832
Publisher:
Wiley
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; disorder; energy storage; neutron scattering; pair distribution function; spinel
OSTI Identifier:
1344977

Chen, Yan, Cheng, Yongqiang, Li, Juchuan, Feygenson, Mikhail, Heller, William T., Liang, Chengdu, and An, Ke. Lattice-cell orientation disorder in complex spinel oxides. United States: N. p., Web. doi:10.1002/aenm.201601950.
Chen, Yan, Cheng, Yongqiang, Li, Juchuan, Feygenson, Mikhail, Heller, William T., Liang, Chengdu, & An, Ke. Lattice-cell orientation disorder in complex spinel oxides. United States. doi:10.1002/aenm.201601950.
Chen, Yan, Cheng, Yongqiang, Li, Juchuan, Feygenson, Mikhail, Heller, William T., Liang, Chengdu, and An, Ke. 2016. "Lattice-cell orientation disorder in complex spinel oxides". United States. doi:10.1002/aenm.201601950. https://www.osti.gov/servlets/purl/1344977.
@article{osti_1344977,
title = {Lattice-cell orientation disorder in complex spinel oxides},
author = {Chen, Yan and Cheng, Yongqiang and Li, Juchuan and Feygenson, Mikhail and Heller, William T. and Liang, Chengdu and An, Ke},
abstractNote = {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. As a result, the single-phase model is consistent with the electrochemical behavior observation of the materials.},
doi = {10.1002/aenm.201601950},
journal = {Advanced Energy Materials},
number = 4,
volume = 7,
place = {United States},
year = {2016},
month = {11}
}

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