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Hexagonal perovskite related oxide ion conductor Ba3NbMoO8.5: phase transition, temperature evolution of the local structure and properties

Chambers, Matthew S.; McCombie, Kirstie S.; Auckett, Josie E.; McLaughlin, Abbie C.; Irvine, John T.S.; Chater, Philip A.; Evans, John S.O.; Evans, Ivana Radosavljevic

Hexagonal perovskite related oxide ion conductor Ba3NbMoO8.5: phase transition, temperature evolution of the local structure and properties Thumbnail


Authors

Matthew S. Chambers

Kirstie S. McCombie

Abbie C. McLaughlin

John T.S. Irvine

Philip A. Chater



Abstract

Ba3NbMoO8.5 has recently been demonstrated to exhibit competitive oxide ion conductivity and to be stable under reducing conditions, making it an excellent potential electrolyte for solid oxide fuel cells. We report here the first investigation of the local structure in Ba3NbMoO8.5, carried out using variabletemperature neutron total scattering and pair distribution function (PDF) analysis. This work reveals a significant degree of disorder in the material, even at ambient conditions, in both the cation and the anion arrangements and suggests the prevalence of the five-fold Nb/Mo coordination. In addition, high resolution powder X-ray diffraction data indicate that the temperature-dependent structural changes in Ba3NbMoO8.5 are due to a first order phase transition, and reveal a previously unreported effect of thermal history on the room-temperature form of the material. PDF modelling shows that Ba3NbMoO8.5 has an essentially continuous oxygen distribution in the ab plane at 600 C which leads to its high oxideion conductivity.

Citation

Chambers, M. S., McCombie, K. S., Auckett, J. E., McLaughlin, A. C., Irvine, J. T., Chater, P. A., …Evans, I. R. (2019). Hexagonal perovskite related oxide ion conductor Ba3NbMoO8.5: phase transition, temperature evolution of the local structure and properties. Journal of Materials Chemistry A: materials for energy and sustainability, 7(44), 25503-25510. https://doi.org/10.1039/c9ta08378b

Journal Article Type Article
Acceptance Date Oct 25, 2019
Online Publication Date Oct 25, 2019
Publication Date Nov 28, 2019
Deposit Date Nov 5, 2019
Publicly Available Date Mar 29, 2024
Journal Journal of Materials Chemistry A: materials for energy and sustainability
Print ISSN 2050-7488
Electronic ISSN 2050-7496
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 7
Issue 44
Pages 25503-25510
DOI https://doi.org/10.1039/c9ta08378b

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