Chloe A. Fuller
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.
Matthias J. Gutmann
Chris D. Ling
P. Shiv Halasyamani
Professor Ivana Evans firstname.lastname@example.org
Professor John Evans email@example.com
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.
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|
|Deposit Date||Jul 21, 2022|
|Publicly Available Date||Jul 22, 2022|
|Journal||Journal of Materials Chemistry A|
|Publisher||Royal Society of Chemistry|
|Peer Reviewed||Peer Reviewed|
Published Journal Article (Advance online version)
Publisher Licence URL
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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