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The importance of A-site cation chemistry in superionic halide solid electrolytes

Research output: Contribution to Journal/Magazine › Journal article › peer-review

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The importance of A-site cation chemistry in superionic halide solid electrolytes. / Barker, Kit; McKinney, Sarah L.; Artal, Raül et al.
In: Nature Communications, Vol. 15, No. 1, 7501, 29.08.2024.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Barker, K, McKinney, SL, Artal, R, Jiménez, R, Tapia-Ruiz, N, Skinner, SJ, Aguadero, A & Seymour, ID 2024, 'The importance of A-site cation chemistry in superionic halide solid electrolytes', Nature Communications, vol. 15, no. 1, 7501. https://doi.org/10.1038/s41467-024-51710-1

APA

Barker, K., McKinney, S. L., Artal, R., Jiménez, R., Tapia-Ruiz, N., Skinner, S. J., Aguadero, A., & Seymour, I. D. (2024). The importance of A-site cation chemistry in superionic halide solid electrolytes. Nature Communications, 15(1), Article 7501. https://doi.org/10.1038/s41467-024-51710-1

Vancouver

Barker K, McKinney SL, Artal R, Jiménez R, Tapia-Ruiz N, Skinner SJ et al. The importance of A-site cation chemistry in superionic halide solid electrolytes. Nature Communications. 2024 Aug 29;15(1):7501. doi: 10.1038/s41467-024-51710-1

Author

Barker, Kit ; McKinney, Sarah L. ; Artal, Raül et al. / The importance of A-site cation chemistry in superionic halide solid electrolytes. In: Nature Communications. 2024 ; Vol. 15, No. 1.

Bibtex

@article{3e0261c3ca2a427cb84f9b6327407e45,
title = "The importance of A-site cation chemistry in superionic halide solid electrolytes",
abstract = "Halide solid electrolytes do not currently display ionic conductivities suitable for high-power all-solid-state batteries. We explore the model system A2ZrCl6 (A = Li, Na, Cu, Ag) to understand the fundamental role that A-site chemistry plays on fast ion transport. Having synthesised the previously unknown Ag2ZrCl6 we reveal high room temperature ionic conductivities in Cu2ZrCl6 and Ag2ZrCl6 of 1 × 10−2 and 4 × 10−3 S cm−1, respectively. We introduce the concept that there are inherent limits to ionic conductivity in solids, where the energy and number of transition states play pivotal roles. Transport that involves multiple coordination changes along the pathway suffer from an intrinsic minimum activation energy. At certain lattice sizes, the energies of different coordinations can become equivalent, leading to lower barriers when a pathway involves a single coordination change. Our models provide a deeper understanding into the optimisation and design criteria for halide superionic conductors.",
author = "Kit Barker and McKinney, {Sarah L.} and Ra{\"u}l Artal and Ricardo Jim{\'e}nez and Nuria Tapia-Ruiz and Skinner, {Stephen J.} and Ainara Aguadero and Seymour, {Ieuan D.}",
year = "2024",
month = aug,
day = "29",
doi = "10.1038/s41467-024-51710-1",
language = "English",
volume = "15",
journal = "Nature Communications",
issn = "2041-1723",
publisher = "Nature Publishing Group",
number = "1",

}

RIS

TY - JOUR

T1 - The importance of A-site cation chemistry in superionic halide solid electrolytes

AU - Barker, Kit

AU - McKinney, Sarah L.

AU - Artal, Raül

AU - Jiménez, Ricardo

AU - Tapia-Ruiz, Nuria

AU - Skinner, Stephen J.

AU - Aguadero, Ainara

AU - Seymour, Ieuan D.

PY - 2024/8/29

Y1 - 2024/8/29

N2 - Halide solid electrolytes do not currently display ionic conductivities suitable for high-power all-solid-state batteries. We explore the model system A2ZrCl6 (A = Li, Na, Cu, Ag) to understand the fundamental role that A-site chemistry plays on fast ion transport. Having synthesised the previously unknown Ag2ZrCl6 we reveal high room temperature ionic conductivities in Cu2ZrCl6 and Ag2ZrCl6 of 1 × 10−2 and 4 × 10−3 S cm−1, respectively. We introduce the concept that there are inherent limits to ionic conductivity in solids, where the energy and number of transition states play pivotal roles. Transport that involves multiple coordination changes along the pathway suffer from an intrinsic minimum activation energy. At certain lattice sizes, the energies of different coordinations can become equivalent, leading to lower barriers when a pathway involves a single coordination change. Our models provide a deeper understanding into the optimisation and design criteria for halide superionic conductors.

AB - Halide solid electrolytes do not currently display ionic conductivities suitable for high-power all-solid-state batteries. We explore the model system A2ZrCl6 (A = Li, Na, Cu, Ag) to understand the fundamental role that A-site chemistry plays on fast ion transport. Having synthesised the previously unknown Ag2ZrCl6 we reveal high room temperature ionic conductivities in Cu2ZrCl6 and Ag2ZrCl6 of 1 × 10−2 and 4 × 10−3 S cm−1, respectively. We introduce the concept that there are inherent limits to ionic conductivity in solids, where the energy and number of transition states play pivotal roles. Transport that involves multiple coordination changes along the pathway suffer from an intrinsic minimum activation energy. At certain lattice sizes, the energies of different coordinations can become equivalent, leading to lower barriers when a pathway involves a single coordination change. Our models provide a deeper understanding into the optimisation and design criteria for halide superionic conductors.

U2 - 10.1038/s41467-024-51710-1

DO - 10.1038/s41467-024-51710-1

M3 - Journal article

VL - 15

JO - Nature Communications

JF - Nature Communications

SN - 2041-1723

IS - 1

M1 - 7501

ER -