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dc.contributor.authorHarunsani, Mohammad H.
dc.contributor.authorWoodward, David I.
dc.contributor.authorPeel, Martin
dc.contributor.authorAshbrook, Sharon Elizabeth
dc.contributor.authorWalton, Richard I.
dc.identifier.citationHarunsani , M H , Woodward , D I , Peel , M , Ashbrook , S E & Walton , R I 2013 , ' Investigation of the hydrothermal crystallisation of the perovskite solid solution NaCe 1-x La x Ti 2 O 6 and its defect chemistry ' , Journal of Solid State Chemistry , vol. 207 , pp. 117-125 .
dc.identifier.otherPURE: 84712985
dc.identifier.otherPURE UUID: 14e39a2a-dc18-4a4f-91fe-27f3ccee729a
dc.identifier.otherWOS: 000326850200017
dc.identifier.otherScopus: 84884968430
dc.identifier.otherORCID: /0000-0002-4538-6782/work/56638939
dc.descriptionMHH thanks the Ministry of Education, Brunei for award of a scholarship. EPSRC are thanked for a DTG studentship to MDP.en
dc.description.abstractPerovskites of nominal composition NaCe1−xLaxTi2O6 (0≤x≤1) crystallise directly under hydrothermal conditions at 240 °C. Raman spectroscopy shows distortion from the ideal cubic structure and Rietveld analysis of powder X-ray and neutron diffraction reveals that the materials represent a continuous series in rhombohedral space group R3̄c. Ce LIII-edge X-ray absorption near edge structure spectroscopy shows that while the majority of cerium is present as Ce3+ there is evidence for Ce4+. The paramagnetic Ce3+ affects the chemical shift and line width of 23Na MAS NMR spectra, which also show with no evidence for A-site ordering. 2H MAS NMR of samples prepared in D2O shows the inclusion of deuterium, which IR spectroscopy shows is most likely to be as D2O. The deuterium content is highest for the cerium-rich materials, consistent with oxidation of some cerium to Ce4+ to provide charge balance of A-site water.
dc.relation.ispartofJournal of Solid State Chemistryen
dc.rights© 2013. Elsevier Inc. All rights reserved. This is the author’s version of a work that was accepted for publication in Journal of Solid State Chemistry. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Solid State Chemistry, 203, November 2013 DOI 10.1016/j.jssc.2013.09.015en
dc.subjectNeutron diffractionen
dc.subjectFree piezoelectric ceramicsen
dc.subjectLA1/2NA1/2TIO3 NANOCRYSTALSen
dc.subjectQuantum paraelectricityen
dc.subjectQD Chemistryen
dc.titleInvestigation of the hydrothermal crystallisation of the perovskite solid solution NaCe1-xLaxTi2O6 and its defect chemistryen
dc.typeJournal articleen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.description.statusPeer revieweden

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