Understanding disorder in the Y2Sn2-xZrxO7 pyrochlore oxides

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dc.contributor.authorMarlton, FPen_AU
dc.contributor.authorKennedy, BJen_AU
dc.contributor.authorLing, CDen_AU
dc.contributor.authorZhang, ZMen_AU
dc.date.accessioned2023-05-05T01:58:49Zen_AU
dc.date.available2023-05-05T01:58:49Zen_AU
dc.date.issued2020-11-11en_AU
dc.date.statistics2023-05-02en_AU
dc.description.abstractSolid oxide fuel cells (SOFCs) offer clean alternatives to current carbon emitting energy sources; however, reducing their operation temperature is a major challenge for widespread application. Hence, the development of novel electrolyte materials with high room temperature ionic conductivity is crucial. Pyrochlore oxides, of the general chemical formula A2B2O7, exhibit chemical and structural flexibility, resulting in a diverse range of physical properties and technological applications, such as host matrices in the immobilization of actinide-rich nuclear wastes. In particular, they have gained interest as fast-ion conductors for electrolytes in SOFCs. The pyrochlore structure is highly ordered, which limits long-range oxygen diffusion. This can be altered via disordering, which results in the formation of oxygen Frenkel pairs that improve conductivity. The pyrochlore structure can adopt the disordered-fluorite structure via changes in composition, temperature, pressure and radiation. The disordered-fluorite exhibits lower formation energy of the Frenkel defect; however, this increase in structural disorder can increase the activation energies needed for long-range migration, which results in optimal conductivity occurring in partially disordered materials. Hence, the interplay between disorder and order in the atomic structure is key to the physical properties of these materials. There have been many studies dedicated to understanding the structural order and disorder in pyrochlore and disordered-fluorite oxides, with a recent study claiming the local structure of the disordered-flourite to be weberite. It was proposed that the overall structure of a disordered-fluorite consists of randomly arranged orthorhombic weberite domains that result in the long-range cubic disordered-fluorite.In this study we use low temperature (15 K) neutron pair distribution function (PDF) and big box modelling to understand the local-scale structure of the Y2Sn2-xZrxO7 system. We show that the local structure of the Y2Zr2O7 disordered fluorite does not contain ordered weberite domains, which emphasizes the importance of low temperature measurements in the local structure analysis of disordered oxide materials. Our analysis of the Y2Sn2-xZrxO7 series serves as a direct method for quantifying disorder and Frenkel defects. Understanding and quantifying these atomic-scale distortions is essential in simulations and design as it directly influences the energy landscape for anion mobility. These techniques can be used in the development and engineering of novel and advanced electrolyte materials for SOFCs. , © The authors.en_AU
dc.identifier.citationMarlton, F., Kennedy, B., Ling, C., & Zhang, Z. (2020). Understanding disorder in the Y2Sn2-xZrxO7 pyrochlore oxides. Paper presented to the ANBUG-AINSE Neutron Scattering Symposium, AANSS 2020, Virtual Meeting, 11th - 13th November 2020. (pp. 93). Retrieved from: https://events01.synchrotron.org.au/event/125/attachments/725/1149/AANSS_Abstract_Booklet_Complete_-_1_Page_Reduced.pdfen_AU
dc.identifier.conferenceenddate13 November 2020en_AU
dc.identifier.conferencenameANBUG-AINSE Neutron Scattering Symposium, AANSS 2020en_AU
dc.identifier.conferenceplaceVirtual Meetingen_AU
dc.identifier.conferencestartdate11 November 2020en_AU
dc.identifier.pagination93en_AU
dc.identifier.urihttps://events01.synchrotron.org.au/event/125/contributions/3762/contribution.pdfen_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/15009en_AU
dc.language.isoenen_AU
dc.publisherAustralian Institute of Nuclear Science and Engineering (AINSE)en_AU
dc.subjectOxidesen_AU
dc.subjectFuel cellsen_AU
dc.subjectCarbonen_AU
dc.subjectElectrolytesen_AU
dc.subjectPyrochloreen_AU
dc.subjectIonsen_AU
dc.subjectOxygenen_AU
dc.subjectNeutronsen_AU
dc.subjectBox modelsen_AU
dc.subjectFluoriteen_AU
dc.titleUnderstanding disorder in the Y2Sn2-xZrxO7 pyrochlore oxidesen_AU
dc.typeConference Abstracten_AU
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