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Title: The migration mechanism of transition metal ions in LiNi 0.5 Mn 1.5O 4

Abstract

The migration of transition metal ions in the oxygen framework was recently proposed to be responsible for the continuous loss of average working potential of high energy density layered–layered composite cathodes for lithium-ion batteries. The potential migration pathway in a model material, LiNi 0.5 Mn 1.5O 4 spinel, was investigated using in situ high-energy X-ray diffraction and in situ neutron diffraction during the solid state synthesis process. It was found that the migration of transition metal ions among octahedral sites is possible by using tetrahedral vacancies as intermediate sites. It was also suggested that the number of electrons in 3d orbitals has a significant impact on their mobility in the hosting oxygen framework.

Authors:
 [1];  [1];  [2];  [3];  [3];  [1];  [1]
  1. Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division
  2. Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division, Spallation Neutron Source (SNS)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
OSTI Identifier:
1327577
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Materials Chemistry. A
Additional Journal Information:
Journal Volume: 3; Journal Issue: 24; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE

Citation Formats

Xu, Gui-Liang, Qin, Yan, Ren, Yang, Cai, Lu, An, Ke, Amine, Khalil, and Chen, Zonghai. The migration mechanism of transition metal ions in LiNi 0.5 Mn 1.5O4. United States: N. p., 2015. Web. doi:10.1039/C5TA02522B.
Xu, Gui-Liang, Qin, Yan, Ren, Yang, Cai, Lu, An, Ke, Amine, Khalil, & Chen, Zonghai. The migration mechanism of transition metal ions in LiNi 0.5 Mn 1.5O4. United States. doi:10.1039/C5TA02522B.
Xu, Gui-Liang, Qin, Yan, Ren, Yang, Cai, Lu, An, Ke, Amine, Khalil, and Chen, Zonghai. Tue . "The migration mechanism of transition metal ions in LiNi 0.5 Mn 1.5O4". United States. doi:10.1039/C5TA02522B. https://www.osti.gov/servlets/purl/1327577.
@article{osti_1327577,
title = {The migration mechanism of transition metal ions in LiNi 0.5 Mn 1.5O4},
author = {Xu, Gui-Liang and Qin, Yan and Ren, Yang and Cai, Lu and An, Ke and Amine, Khalil and Chen, Zonghai},
abstractNote = {The migration of transition metal ions in the oxygen framework was recently proposed to be responsible for the continuous loss of average working potential of high energy density layered–layered composite cathodes for lithium-ion batteries. The potential migration pathway in a model material, LiNi 0.5 Mn 1.5O4 spinel, was investigated using in situ high-energy X-ray diffraction and in situ neutron diffraction during the solid state synthesis process. It was found that the migration of transition metal ions among octahedral sites is possible by using tetrahedral vacancies as intermediate sites. It was also suggested that the number of electrons in 3d orbitals has a significant impact on their mobility in the hosting oxygen framework.},
doi = {10.1039/C5TA02522B},
journal = {Journal of Materials Chemistry. A},
number = 24,
volume = 3,
place = {United States},
year = {Tue May 12 00:00:00 EDT 2015},
month = {Tue May 12 00:00:00 EDT 2015}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 6 works
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Works referenced in this record:

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