Type II Bi1-xWxO1.5+1.5x: a (3 + 3) – dimensional commensurate modulation that stabilises the fast ion conducting delta phase of bismuth oxide

Simple item page
dc.contributor.authorWind, Jen_AU
dc.contributor.authorAuckett, JEen_AU
dc.contributor.authorWithers, RLen_AU
dc.contributor.authorPiltz, ROen_AU
dc.contributor.authorMole, RAen_AU
dc.contributor.authorLing, CDen_AU
dc.date.accessioned2021-10-26T22:06:48Zen_AU
dc.date.available2021-10-26T22:06:48Zen_AU
dc.date.issued2016-11-29en_AU
dc.date.statistics2021-10-11en_AU
dc.description.abstractThe high temperature cubic polymorph of bismuth oxide, δ-Bi2O3, is the best intermediate temperature oxide ionic conductor known. Unfortunately, δ-Bi2O3 is only stable from 750-830°C, limiting its use as an ionic conductor. In order to stabilise its average fluorite-type structure to room temperature, while preserving a large part of its conductivity, higher valent transition metals such as Nb5+, Ta5+, Cr6+, Mo6+ or W6+ can be introduced, resulting in a variety of complex modulated structures based on the fluorite-type subcell. We have identified a new member of this class of (3+3)-dimensional modulated phases in the Bi1-xWxO1.5+1.5x system, in which the modulation vector ε ‘locks in’ to a commensurate value of 1/3 [2]. The structure was refined in a 3x3x3 supercell against single-crystal Laue neutron diffraction data. Detailed ab initio calculations were used to test and optimise the local structure of the oxygen sublattice around a single mixed Bi/W site. The underlying crystal chemistry was shown to be based on a transition from fluorite-type to pyrochlore-type via the formation of W4O18 ‘tetrahedra of octahedra’. The full range of occupancies on this mixed Bi/W site give a solid-solution range bounded by Bi23W4O46.5 (x = 0.148) and Bi22W5O48 (x = 0.185). AC impedance measurements show promising results with ionic conductivities comparable to yttria stabilized zirconia. Ab initio molecular dynamics simulations combined with quasi-elastic (QENS) and inelastic neutron scattering (INS) experiments give first insights into the dynamics of the conduction process and diffusion mechanisms in these materials.en_AU
dc.identifier.citationWind, J., Auckett, J. E., Withers, R. L., Piltz, R. O., Mole, R., & Ling, C. D. (2016). Type II Bi1-xWxO1.5+1.5x: a (3 + 3) – dimensional commensurate modulation that stabilises the fast ion conducting delta phase of bismuth oxide. Paper presented at 13th AINSE-ANBUG Neutron Scattering Symposium, Sydney, NSW, Australia, 29-30 November 2016.en_AU
dc.identifier.conferenceenddate30 November 2016en_AU
dc.identifier.conferencename13th AINSE-ANBUG Neutron Scattering Symposiumen_AU
dc.identifier.conferenceplaceSydney, NSW, Australiaen_AU
dc.identifier.conferencestartdate29 November 2016en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/12103en_AU
dc.language.isoenen_AU
dc.publisherAustralian Institute of Nuclear Science and Engineeringen_AU
dc.subjectTemperature range 0400-1000 Ken_AU
dc.subjectBismuth oxidesen_AU
dc.subjectIonic conductivityen_AU
dc.subjectFluoriteen_AU
dc.subjectTransition elementsen_AU
dc.subjectMonocrystalsen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectPyrochloreen_AU
dc.subjectImpedanceen_AU
dc.titleType II Bi1-xWxO1.5+1.5x: a (3 + 3) – dimensional commensurate modulation that stabilises the fast ion conducting delta phase of bismuth oxideen_AU
dc.typeConference Abstracten_AU
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
Abstract_Handbook_v2(1).pdf
Size:
1.87 MB
Format:
Adobe Portable Document Format
Description:
Download
License bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
1.63 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Conference Publications