Lattice-cell orientation disorder in complex spinel oxides

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

doi:10.1002/aenm.201601950

Title: Lattice-cell orientation disorder in complex spinel oxides

Journal Article · Mon Nov 07 00:00:00 EST 2016 · Advanced Energy Materials

DOI:https://doi.org/10.1002/aenm.201601950· OSTI ID:1344977

Chen, Yan ^[1]; Cheng, Yongqiang ^[1]; Li, Juchuan ^[1]; Feygenson, Mikhail ^[1]; Heller, William T. ^[1]; Liang, Chengdu ^[1]; An, Ke ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

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_1.5O₄ 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.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1344977

Journal Information:: Advanced Energy Materials, Vol. 7, Issue 4; ISSN 1614-6832

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 18 works

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Title: Lattice-cell orientation disorder in complex spinel oxides

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