Show simple item record

Files in this item


Item metadata

dc.contributor.authorHesse, F
dc.contributor.authorda Silva, I
dc.contributor.authorBos, JWG
dc.identifier.citationHesse , F , da Silva , I & Bos , JWG 2022 , ' Insights into oxygen migration in LaBaCo 2 O 6 -delta perovskites from in situ neutron powder diffraction and bond valence site energy calculations ' , Chemistry of Materials , vol. 34 , no. 3 , pp. 1191-1202 .
dc.identifier.otherPURE: 289243562
dc.identifier.otherPURE UUID: ef6f30aa-8956-4fb1-9ad4-a1b38f52e447
dc.identifier.otherWOS: 000763584500026
dc.identifier.otherPubMed: 35431436
dc.identifier.otherScopus: 85124124453
dc.identifier.otherORCID: /0000-0003-3947-2024/work/137915366
dc.descriptionFunding: The EPSRC CRITICAT Centre for Doctoral Training (EP/ L016419/1) for a studentship for F.H. STFC for provision of beamtime at the ISIS Neutron and Muon Source (award RB1910262).en
dc.description.abstractLayered cobalt oxide perovskites are important mixed ionic and electronic conductors. Here, we investigate LaBaCo2O6−δ using in situ neutron powder diffraction. This composition is unique because it can be prepared in cubic, layered, and vacancy-ordered forms. Thermogravimetric analysis and diffraction reveal that layered and disordered samples have near-identical oxygen cycling capacities. Migration barriers for oxide ion conduction calculated using the bond valence site energy approach vary from Eb ∼ 2.8 eV for the cubic perovskite to Eb ∼ 1.5 eV for 2D transport in the layered system. Vacancy-ordered superstructures were observed at low temperatures, 350–400 °C for δ = 0.25 and δ = 0.5. The vacancy ordering at δ = 0.5 is different from the widely reported structure and involves oxygen sites in both CoO2 and LaO planes. Vacancy ordering leads to the emergence of additional migration pathways with low-energy barriers, for example, 1D channels with Eb = 0.5 eV and 3D channels with Eb = 2.2 eV. The emergence of these channels is caused by the strong orthorhombic distortion of the crystal structure. These results demonstrate that there is potential scope to manipulate ionic transport in vacancy-ordered LnBaCo2O6−δ perovskites with reduced symmetry.
dc.relation.ispartofChemistry of Materialsen
dc.rightsCopyright © 2022 The Authors. Published by American Chemical Society under a Creative Commons CC BY licence.en
dc.subjectQD Chemistryen
dc.titleInsights into oxygen migration in LaBaCo2O6-delta perovskites from in situ neutron powder diffraction and bond valence site energy calculationsen
dc.typeJournal articleen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.description.statusPeer revieweden

This item appears in the following Collection(s)

Show simple item record