Chemistry of Materials, volume 27, issue 8, pages 2821-2831
Effects of Gallium Doping in Garnet-Type Li7La3Zr2O12 Solid Electrolytes
Randy Jalem
1
,
M J D Rushton
2
,
William Wang Manalastas
3
,
Masanobu Nakayama
1, 4
,
Toshihiro Kasuga
,
John Kilner
2, 3
,
Robin W Grimes
2
3
CIC
Energigune, Parque Tecnologico, C/Albert Einstein 48, CP 01510 Minano, Alava, Spain
|
Publication type: Journal Article
Publication date: 2015-04-17
Journal:
Chemistry of Materials
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 8.6
ISSN: 08974756, 15205002
Materials Chemistry
General Chemistry
General Chemical Engineering
Abstract
Garnet-type Li7La3Zr2O12 (LLZrO) is a candidate solid electrolyte material that is now being intensively optimized for application in commercially competitive solid state Li+ ion batteries. In this study we investigate, by force-field-based simulations, the effects of Ga3+ doping in LLZrO. We confirm the stabilizing effect of Ga3+ on the cubic phase. We also determine that Ga3+ addition does not lead to any appreciable structural distortion. Li site connectivity is not significantly deteriorated by the Ga3+ addition (>90% connectivity retained up to x = 0.30 in Li7–3xGaxLa3Zr2O12). Interestingly, two compositional regions are predicted for bulk Li+ ion conductivity in the cubic phase: (i) a decreasing trend for 0 ≤ x ≤ 0.10 and (ii) a relatively flat trend for 0.10 < x ≤ 0.30. This conductivity behavior is explained by combining analyses using percolation theory, van Hove space time correlation, the radial distribution function, and trajectory density.
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Citations by publishers
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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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Jalem R. et al. Effects of Gallium Doping in Garnet-Type Li7La3Zr2O12 Solid Electrolytes // Chemistry of Materials. 2015. Vol. 27. No. 8. pp. 2821-2831.
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Jalem R., Rushton M. J. D., Manalastas W. W., Nakayama M., Kasuga T., Kilner J., Grimes R. W. Effects of Gallium Doping in Garnet-Type Li7La3Zr2O12 Solid Electrolytes // Chemistry of Materials. 2015. Vol. 27. No. 8. pp. 2821-2831.
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TY - JOUR
DO - 10.1021/cm5045122
UR - https://doi.org/10.1021/cm5045122
TI - Effects of Gallium Doping in Garnet-Type Li7La3Zr2O12 Solid Electrolytes
T2 - Chemistry of Materials
AU - Grimes, Robin W
AU - Jalem, Randy
AU - Rushton, M J D
AU - Manalastas, William Wang
AU - Nakayama, Masanobu
AU - Kasuga, Toshihiro
AU - Kilner, John
PY - 2015
DA - 2015/04/17 00:00:00
PB - American Chemical Society (ACS)
SP - 2821-2831
IS - 8
VL - 27
SN - 0897-4756
SN - 1520-5002
ER -
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@article{2015_Jalem,
author = {Robin W Grimes and Randy Jalem and M J D Rushton and William Wang Manalastas and Masanobu Nakayama and Toshihiro Kasuga and John Kilner},
title = {Effects of Gallium Doping in Garnet-Type Li7La3Zr2O12 Solid Electrolytes},
journal = {Chemistry of Materials},
year = {2015},
volume = {27},
publisher = {American Chemical Society (ACS)},
month = {apr},
url = {https://doi.org/10.1021/cm5045122},
number = {8},
pages = {2821--2831},
doi = {10.1021/cm5045122}
}
Cite this
MLA
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Jalem, Randy, et al. “Effects of Gallium Doping in Garnet-Type Li7La3Zr2O12 Solid Electrolytes.” Chemistry of Materials, vol. 27, no. 8, Apr. 2015, pp. 2821-2831. https://doi.org/10.1021/cm5045122.