Understanding the influence of local structure distortions on Na-ion migration in perovskite solid electrolytes

Marlton, FP; Yang, FZT; Everett, SM; Neuefeind, J; Schmid, S

Understanding the influence of local structure distortions on Na-ion migration in perovskite solid electrolytes

Marlton, FP Yang, FZT Everett, SM Neuefeind, J Schmid, S

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Publisher:: ELSEVIER
Publication Type:: Journal Article
Citation:: Journal of Power Sources, 2024, 617
Issue Date:: 2024-10-15

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Field	Value	Language
dc.contributor.author	Marlton, FP
dc.contributor.author	Yang, FZT
dc.contributor.author	Everett, SM
dc.contributor.author	Neuefeind, J
dc.contributor.author	Schmid, S
dc.date.accessioned	2025-01-23T05:46:07Z
dc.date.available	2025-01-23T05:46:07Z
dc.date.issued	2024-10-15
dc.identifier.citation	Journal of Power Sources, 2024, 617
dc.identifier.issn	0378-7753
dc.identifier.issn	1873-2755
dc.identifier.uri	http://hdl.handle.net/10453/184107
dc.description.abstract	The perovskite structured oxides of composition ABO3 are considered strong candidates for solid-state electrolytes in all-solid-state batteries due to their chemical and structural flexibility. However, further improvements must be made before they become commercially viable, and this requires a clear understanding of the structure-property relationships. In this study, the local structure of the perovskite sodium-ion solid electrolyte series Na1/2−xLa1/2−xSr2xZrO3 (NLSZ, x = [Formula presented], [Formula presented], [Formula presented], [Formula presented]) was investigated via neutron total scattering. Small-box modelling against the neutron pair distribution function with the orthorhombic Pbnm structure showed local-scale features that deviate from the average structure. Big-box modelling revealed significant differences between the bonding configurations of the different A-site cations, which impacts the ionic conductivity of the material. This study demonstrates how understanding local-scale disorder is important for tuning the structure-property relationships of inorganic solid-state electrolyte materials in sustainable battery technologies.
dc.language	English
dc.publisher	ELSEVIER
dc.relation.ispartof	Journal of Power Sources
dc.relation.isbasedon	10.1016/j.jpowsour.2024.235154
dc.rights	info:eu-repo/semantics/openAccess
dc.subject	03 Chemical Sciences, 09 Engineering
dc.subject.classification	Energy
dc.subject.classification	34 Chemical sciences
dc.subject.classification	40 Engineering
dc.title	Understanding the influence of local structure distortions on Na-ion migration in perovskite solid electrolytes
dc.type	Journal Article
utslib.citation.volume	617
utslib.for	03 Chemical Sciences
utslib.for	09 Engineering
pubs.organisational-group	University of Technology Sydney
pubs.organisational-group	University of Technology Sydney/Faculty of Science
pubs.organisational-group	University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
utslib.copyright.status	open_access	*
dc.rights.license	This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0). To view a copy of this license, visit https://creativecommons.org/licenses/by/4.0/
dc.date.updated	2025-01-23T05:46:06Z
pubs.publication-status	Published
pubs.volume	617

Abstract:

The perovskite structured oxides of composition ABO3 are considered strong candidates for solid-state electrolytes in all-solid-state batteries due to their chemical and structural flexibility. However, further improvements must be made before they become commercially viable, and this requires a clear understanding of the structure-property relationships. In this study, the local structure of the perovskite sodium-ion solid electrolyte series Na1/2−xLa1/2−xSr2xZrO3 (NLSZ, x = [Formula presented], [Formula presented], [Formula presented], [Formula presented]) was investigated via neutron total scattering. Small-box modelling against the neutron pair distribution function with the orthorhombic Pbnm structure showed local-scale features that deviate from the average structure. Big-box modelling revealed significant differences between the bonding configurations of the different A-site cations, which impacts the ionic conductivity of the material. This study demonstrates how understanding local-scale disorder is important for tuning the structure-property relationships of inorganic solid-state electrolyte materials in sustainable battery technologies.

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http://hdl.handle.net/10453/184107