Chemistry of Materials, volume 28, issue 6, pages 1861-1871
Crystal Structure of Garnet-Related Li-Ion Conductor Li7–3xGaxLa3Zr2O12: Fast Li-Ion Conduction Caused by a Different Cubic Modification?
Reinhard Wagner
1
,
Günther Redhammer
1
,
Daniel Rettenwander
1
,
A. Senyshyn
2
,
Walter Schmidt
3
,
Martin Wilkening
3
,
G. Amthauer
1
1
Department
of Chemistry and Physics of Materials, University of Salzburg, Hellbrunnerstrasse
34, 5020 Salzburg, Austria
|
Publication type: Journal Article
Publication date: 2016-03-02
Journal:
Chemistry of Materials
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 8.6
ISSN: 08974756, 15205002
PubMed ID:
27019548
Materials Chemistry
General Chemistry
General Chemical Engineering
Abstract
Li-oxide garnets such as Li7La3Zr2O12 (LLZO) are among the most promising candidates for solid-state electrolytes to be used in next-generation Li-ion batteries. The garnet-structured cubic modification of LLZO, showing space group Ia-3d, has to be stabilized with supervalent cations. LLZO stabilized with Ga3+ shows superior properties compared to LLZO stabilized with similar cations; however, the reason for this behavior is still unknown. In this study, a comprehensive structural characterization of Ga-stabilized LLZO is performed by means of single-crystal X-ray diffraction. Coarse-grained samples with crystal sizes of several hundred micrometers are obtained by solid-state reaction. Single-crystal X-ray diffraction results show that Li7-3x Ga x La3Zr2O12 with x > 0.07 crystallizes in the acentric cubic space group I-43d. This is the first definite record of this cubic modification for LLZO materials and might explain the superior electrochemical performance of Ga-stabilized LLZO compared to its Al-stabilized counterpart. The phase transition seems to be caused by the site preference of Ga3+. 7Li NMR spectroscopy indicates an additional Li-ion diffusion process for LLZO with space group I-43d compared to space group Ia-3d. Despite all efforts undertaken to reveal structure-property relationships for this class of materials, this study highlights the potential for new discoveries.
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5
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- We do not take into account publications without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Wagner R. et al. Crystal Structure of Garnet-Related Li-Ion Conductor Li7–3xGaxLa3Zr2O12: Fast Li-Ion Conduction Caused by a Different Cubic Modification? // Chemistry of Materials. 2016. Vol. 28. No. 6. pp. 1861-1871.
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Wagner R., Redhammer G., Rettenwander D., Senyshyn A., Schmidt W., Wilkening M., Amthauer G. Crystal Structure of Garnet-Related Li-Ion Conductor Li7–3xGaxLa3Zr2O12: Fast Li-Ion Conduction Caused by a Different Cubic Modification? // Chemistry of Materials. 2016. Vol. 28. No. 6. pp. 1861-1871.
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TY - JOUR
DO - 10.1021/acs.chemmater.6b00038
UR - https://doi.org/10.1021/acs.chemmater.6b00038
TI - Crystal Structure of Garnet-Related Li-Ion Conductor Li7–3xGaxLa3Zr2O12: Fast Li-Ion Conduction Caused by a Different Cubic Modification?
T2 - Chemistry of Materials
AU - Wagner, Reinhard
AU - Schmidt, Walter
AU - Redhammer, Günther
AU - Rettenwander, Daniel
AU - Senyshyn, A.
AU - Wilkening, Martin
AU - Amthauer, G.
PY - 2016
DA - 2016/03/02 00:00:00
PB - American Chemical Society (ACS)
SP - 1861-1871
IS - 6
VL - 28
PMID - 27019548
SN - 0897-4756
SN - 1520-5002
ER -
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@article{2016_Wagner,
author = {Reinhard Wagner and Walter Schmidt and Günther Redhammer and Daniel Rettenwander and A. Senyshyn and Martin Wilkening and G. Amthauer},
title = {Crystal Structure of Garnet-Related Li-Ion Conductor Li7–3xGaxLa3Zr2O12: Fast Li-Ion Conduction Caused by a Different Cubic Modification?},
journal = {Chemistry of Materials},
year = {2016},
volume = {28},
publisher = {American Chemical Society (ACS)},
month = {mar},
url = {https://doi.org/10.1021/acs.chemmater.6b00038},
number = {6},
pages = {1861--1871},
doi = {10.1021/acs.chemmater.6b00038}
}
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Wagner, Reinhard, et al. “Crystal Structure of Garnet-Related Li-Ion Conductor Li7–3xGaxLa3Zr2O12: Fast Li-Ion Conduction Caused by a Different Cubic Modification?.” Chemistry of Materials, vol. 28, no. 6, Mar. 2016, pp. 1861-1871. https://doi.org/10.1021/acs.chemmater.6b00038.