Josie E. Auckett
Exploring the nature of the fergusonite–scheelite phase transition and ionic conductivity enhancement by Mo6+ doping in LaNbO4
Auckett, Josie E.; Lopez-Odriozola, Laura; Clark, Stewart J.; Radosavljevic Evans, Ivana
Authors
Laura Lopez-Odriozola
Professor Stewart Clark s.j.clark@durham.ac.uk
Professor
Professor Ivana Evans ivana.radosavljevic@durham.ac.uk
Professor
Abstract
A number of metal oxides that crystallise in the scheelite structure type are known to be excellent oxide ion conductors. Here we report the synthesis of a series of materials with general formula LaNb1−xMoxO4+0.5x (x = 0, 0.08, 0.12, 0.16, 0.20) and excellent oxide-ionic conductivity for x ≥ 0.16 (7.0 × 10−3 S cm−1 at 800 °C). Bond valence energy landscape analysis showing possible facile oxide ion migration pathways give important insights into the local influence of defects on oxide-ionic conductivity in these phases. We also use variable-temperature powder X-ray diffraction data to present, for the first time for any scheelite-type material, a symmetry distortion mode refinement-based analysis of the phase transition between the scheelite and fergusonite structure types. This structural phase transition is known to have implications for both oxide-ionic conductive and ferroelastic properties. We demonstrate that one particular distortion mode, namely the Γ2+ displacive mode of the Nb atoms, is the most significant structural distortion leading to the symmetry-breaking phase transition from the tetragonal scheelite to the monoclinic fergusonite form of the material. Our diffraction data and ab initio lattice dynamics calculations provide evidence that the fergusonite–scheelite transition in these materials exhibits characteristics of a first-order transition.
Citation
Auckett, J. E., Lopez-Odriozola, L., Clark, S. J., & Radosavljevic Evans, I. (2021). Exploring the nature of the fergusonite–scheelite phase transition and ionic conductivity enhancement by Mo6+ doping in LaNbO4. Journal of Materials Chemistry A: materials for energy and sustainability, 9(7), 4091-4102. https://doi.org/10.1039/d0ta07453e
Journal Article Type | Article |
---|---|
Acceptance Date | Jan 8, 2021 |
Online Publication Date | Jan 18, 2021 |
Publication Date | Feb 21, 2021 |
Deposit Date | Jun 17, 2021 |
Publicly Available Date | Jun 17, 2021 |
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 | 9 |
Issue | 7 |
Pages | 4091-4102 |
DOI | https://doi.org/10.1039/d0ta07453e |
Public URL | https://durham-repository.worktribe.com/output/1241230 |
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Publisher Licence URL
http://creativecommons.org/licenses/by-nc/3.0/
Copyright Statement
This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence
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