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Investigation of the relationship between the structure and conductivity of the novel oxide ionic conductor Ba3MoNbO8.5
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dc.contributor.author | Fop, Sacha | |
dc.contributor.author | Wildman, Eve J. | |
dc.contributor.author | Irvine, John T. S. | |
dc.contributor.author | Connor, Paul A. | |
dc.contributor.author | Skakle, Janet M. S. | |
dc.contributor.author | Ritter, Clemens | |
dc.contributor.author | McLaughlin, Abbie C. | |
dc.date.accessioned | 2018-04-20T23:33:07Z | |
dc.date.available | 2018-04-20T23:33:07Z | |
dc.date.issued | 2017-05-09 | |
dc.identifier | 250202747 | |
dc.identifier | bf6e88ef-567f-49d0-8767-5301668f525b | |
dc.identifier | 85019098253 | |
dc.identifier | 000401221700036 | |
dc.identifier.citation | Fop , S , Wildman , E J , Irvine , J T S , Connor , P A , Skakle , J M S , Ritter , C & McLaughlin , A C 2017 , ' Investigation of the relationship between the structure and conductivity of the novel oxide ionic conductor Ba 3 MoNbO 8.5 ' , Chemistry of Materials , vol. 29 , no. 9 , pp. 4146-4152 . https://doi.org/10.1021/acs.chemmater.7b01298 | en |
dc.identifier.issn | 0897-4756 | |
dc.identifier.other | ORCID: /0000-0002-1492-7590/work/60427188 | |
dc.identifier.other | ORCID: /0000-0002-8394-3359/work/68280610 | |
dc.identifier.uri | https://hdl.handle.net/10023/13177 | |
dc.description | This research was supported by the Northern Research Partnership and the University of Aberdeen. We also acknowledge STFC-GB for provision of beamtime at the ILL. | en |
dc.description.abstract | A variable temperature neutron diffraction study of the novel oxide ion conductor Ba3MoNbO8.5 has been performed between 25 and 600 °C. Nonmonotonic behavior of the cell parameters, bond lengths, and angles are observed indicating a structural rearrangement above 300 °C. The oxygen/vacancy distribution changes as the temperature increases so that the ratio of (Mo/Nb)O4 tetrahedra to (Mo/Nb)O6 octahedra increases upon heating above 300 °C. A strong correlation between the oxide ionic conductivity and the number of (Mo/Nb)O4 tetrahedra within the average structure of Ba3MoNbO8.5 is observed. The increase in the number of (Mo/Nb)O4 tetrahedra upon heating from 300-600 °C most likely offers more low energy transition paths for transport of the O2- ions enhancing the conductivity. The unusual structural rearrangement also results in relaxation of Mo(1)/Nb(1) and Ba(2) away from the mobile oxygen, increasing the ionic conductivity. The second order Jahn-Teller effect most likely further enhances the distortion of the MO4/MO6 polyhedra as distortions created by both electronic and structural effects are mutually supportive. | |
dc.format.extent | 7 | |
dc.format.extent | 1124583 | |
dc.language.iso | eng | |
dc.relation.ispartof | Chemistry of Materials | en |
dc.subject | QD Chemistry | en |
dc.subject | Chemistry(all) | en |
dc.subject | Chemical Engineering(all) | en |
dc.subject | Materials Chemistry | en |
dc.subject | NDAS | en |
dc.subject | SDG 7 - Affordable and Clean Energy | en |
dc.subject.lcc | QD | en |
dc.title | Investigation of the relationship between the structure and conductivity of the novel oxide ionic conductor Ba3MoNbO8.5 | en |
dc.type | Journal article | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.contributor.institution | University of St Andrews. EaSTCHEM | en |
dc.contributor.institution | University of St Andrews. St Andrews Sustainability Institute | en |
dc.identifier.doi | 10.1021/acs.chemmater.7b01298 | |
dc.description.status | Peer reviewed | en |
dc.date.embargoedUntil | 2018-04-20 | |
dc.identifier.url | http://pubs.acs.org/doi/suppl/10.1021/acs.chemmater.7b01298 | en |
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