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

Matthew S. Chambers, Kirstie S. Mccombie, Josie E. Auckett, Abbie C. Mclaughlin, John T.S. Irvine, Philip A. Chater, John S.O. Evans*, Ivana Radosavljevic Evans

*Corresponding author for this work

Research output: Contribution to journalArticle

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 variable-temperature 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 oxide-ion conductivity.

Original languageEnglish
Pages (from-to)25503-25510
Number of pages8
JournalJournal of Materials Chemistry A
Volume7
Issue number44
Early online date25 Oct 2019
DOIs
Publication statusPublished - 28 Nov 2019

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Perovskite
Oxides
Superconducting transition temperature
Phase transitions
Ions
Distribution functions
Solid oxide fuel cells (SOFC)
X ray powder diffraction
Temperature
Electrolytes
Anions
Cations
Neutrons
Negative ions
Positive ions
Scattering
Oxygen
perovskite
Hot Temperature

ASJC Scopus subject areas

  • Chemistry(all)
  • Renewable Energy, Sustainability and the Environment
  • Materials Science(all)

Cite this

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.

In: Journal of Materials Chemistry A, Vol. 7, No. 44, 28.11.2019, p. 25503-25510.

Research output: Contribution to journalArticle

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. In: Journal of Materials Chemistry A. 2019 ; Vol. 7, No. 44. pp. 25503-25510.
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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 variable-temperature 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 oxide-ion conductivity.",
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