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

doi:10.1039/c9ta08378b

Hexagonal perovskite related oxide ion conductor Ba₃NbMoO_8.5: 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

Research output: Contribution to journal › Article › peer-review

26 Scopus citations

Abstract

Ba₃NbMoO_8.5 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 Ba₃NbMoO_8.5, 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 Ba₃NbMoO_8.5 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 Ba₃NbMoO_8.5 has an essentially continuous oxygen distribution in the ab plane at 600 °C which leads to its high oxide-ion conductivity.

Original language	English
Pages (from-to)	25503-25510
Number of pages	8
Journal	Journal of Materials Chemistry A
Volume	7
Issue number	44
DOIs	https://doi.org/10.1039/c9ta08378b
State	Published - 2019
Externally published	Yes

Funding

M. S. C. thanks Diamond Light Source and Durham University for a PhD studentship. I. R. E. acknowledges the Royal Society and the Leverhulme Trust for the award of a Senior Research Fellowship (SRF\R1\180040). J. E. A. acknowledges the support of a Newton International Fellowship (NF170809) awarded by The Royal Society. We thank Dr Sascha Fop for assistance with TGA-MS experiments and Dr David Apperley for recording the solid state NMR spectra. We gratefully acknowledge the Science and Technology Facilities Council (STFC) for access to neutron beamtime at POLARIS, ISIS (RB1810088), and thank Dr Helen Playford for assistance during the data collection. We acknowledge Diamond Light Source for time on Beamline I11 under Proposal EE19729 and thank Dr Sarah Day and Prof Chiu Tang for assistance during data collection.

Funders	Funder number
ISIS	RB1810088, EE19729
Schizophrenia Research Fund	180040
Engineering and Physical Sciences Research Council	EP/P020534/1
Science and Technology Facilities Council
Leverhulme Trust	NF170809
Royal Society

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1039/c9ta08378b

Cite this

Chambers, M. S., Mccombie, K. S., Auckett, J. E., Mclaughlin, A. C., Irvine, J. T. S., Chater, P. A., Evans, J. S. O., & Evans, I. R. (2019). Hexagonal perovskite related oxide ion conductor Ba₃NbMoO_8.5: phase transition, temperature evolution of the local structure and properties. Journal of Materials Chemistry A, 7(44), 25503-25510. https://doi.org/10.1039/c9ta08378b

@article{e3812de730e44239af7ec155d2697828,

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

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.",

author = "Chambers, {Matthew S.} and Mccombie, {Kirstie S.} and Auckett, {Josie E.} and Mclaughlin, {Abbie C.} and Irvine, {John T.S.} and Chater, {Philip A.} and Evans, {John S.O.} and Evans, {Ivana Radosavljevic}",

note = "Publisher Copyright: {\textcopyright} 2019 The Royal Society of Chemistry.",

year = "2019",

doi = "10.1039/c9ta08378b",

language = "English",

volume = "7",

pages = "25503--25510",

journal = "Journal of Materials Chemistry A",

issn = "2050-7488",

publisher = "Royal Society of Chemistry",

number = "44",

}

TY - JOUR

T1 - Hexagonal perovskite related oxide ion conductor Ba3NbMoO8.5

T2 - phase transition, temperature evolution of the local structure and properties

AU - Chambers, Matthew S.

AU - Mccombie, Kirstie S.

AU - Auckett, Josie E.

AU - Mclaughlin, Abbie C.

AU - Irvine, John T.S.

AU - Chater, Philip A.

AU - Evans, John S.O.

AU - Evans, Ivana Radosavljevic

PY - 2019

Y1 - 2019

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85074938848&partnerID=8YFLogxK

U2 - 10.1039/c9ta08378b

DO - 10.1039/c9ta08378b

M3 - Article

AN - SCOPUS:85074938848

SN - 2050-7488

VL - 7

SP - 25503

EP - 25510

JO - Journal of Materials Chemistry A

JF - Journal of Materials Chemistry A

IS - 44

ER -