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Defects and disorder in apatite-type silicate oxide ion conductors: implications for conductivity

Fuller, Chloe A.; Gutmann, Matthias J.; Ling, Chris D.; Wang, Chun-Hai; Zhang, Weiguo; Halasyamani, P. Shiv; Evans, Ivana Radosavljevic; Evans, John S.O.

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Authors

Chloe A. Fuller

Matthias J. Gutmann

Chris D. Ling

Chun-Hai Wang

Weiguo Zhang

P. Shiv Halasyamani



Abstract

The structure and composition of La-silicate apatite oxide ion conductor, La10Si6O27, in which the types of defects it contains are controversial, has been thoroughly investigated. Large crystals were grown using the floating zone method, and their structure was characterised by X-ray and neutron single crystal diffraction and second harmonic generation measurements. Structure refinements reveal extensive positional disorder on the oxygen substructure, the presence of La vacancies and no evidence of sites occupied by excess oxide ions. The actual composition of the crystal was determined through SEM-EDX and density measurements and was found to be La9.64Si5.77O26, differing significantly from the nominal composition but in agreement with the structure refinements. Structural models considering the actual composition, the disorder on the O sublattice, and local relaxations around these defects were able to reproduce the key features of the diffuse scattering observed in single crystal neutron diffraction patterns.

Citation

Fuller, C. A., Gutmann, M. J., Ling, C. D., Wang, C., Zhang, W., Halasyamani, P. S., …Evans, J. S. (2022). Defects and disorder in apatite-type silicate oxide ion conductors: implications for conductivity. Journal of Materials Chemistry A: materials for energy and sustainability, 10(27), https://doi.org/10.1039/d2ta02328h

Journal Article Type Article
Acceptance Date Jun 20, 2022
Online Publication Date Jun 21, 2022
Publication Date 2022
Deposit Date Jul 21, 2022
Publicly Available Date Jul 22, 2022
Journal Journal of Materials Chemistry A
Print ISSN 2050-7488
Electronic ISSN 2050-7496
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 10
Issue 27
DOI https://doi.org/10.1039/d2ta02328h
Public URL https://durham-repository.worktribe.com/output/1197162

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Publisher Licence URL
http://creativecommons.org/licenses/by/3.0/

Copyright Statement
Advance online version This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.





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