24-26 November 2021
Online
Australia/Sydney timezone

Insight into the Variations of ABO4 Structures: Combined Experimental and Computational Studies

26 Nov 2021, 16:10
15m
Online

Online

Oral Chemistry, Soft Matter & Crystallography Chemistry, Soft Matter & Crystallography

Speaker

Bryce Mullens (University of Sydney)

Description

The development of carbon-neutral energy-generation is critical to combatting climate change. One such technology is the development of next-generation ion conductors for solid-oxide fuel cells (SOFCs). SOFCs offer a more efficient method of extracting energy from hydrogen or hydrocarbon fuels than current combustion engines due to their one-step chemical process. However, a bottleneck to the large-scale uptake of SOFCs is the poor performance of the conducting electrolytes that separate the anode from the cathode. Various $AB\text{O}_{4}$ structures have recently been proposed as solid electrolyte candidates in SOFCs, with increased high-temperature ionic conductivity being measured in chemically doped LaNbO$_{4}$. However, the various phase transitions of these materials within the operational temperature of SOFCs makes them non-ideal.

To understand the effects of chemical doping on the structure and electrochemical properties, several complex $AB\text{O}_{4}$ structures have been investigated. In this work, we present the solid-solution series $Ln$(Nb$_{1-x}$Ta$_{x}$)O$_{4}$ (Ln = La-Lu). Using a combination of synchrotron X-ray and neutron powder diffraction methods, these studies have revealed several anomalies across the series. The structures appear to be sensitive to the size of the Ln cation and their synthesis conditions, with a difference in ionic conduction performance being observed. This experimental data has been further reinforced by ground state energy calculations performed using density functional theory. This is a landmark accomplishment that has not been previously used in similarly studied structures. These insights can be used in the development and engineering of novel and advanced electrolyte materials for SOFCs.

Pronouns He/Him
Presenter Gender Man
Students Only - Are you interested in AINSE student funding Yes
Which facility did you use for your research Australian Centre for Neutron Scattering
Condition of submission Yes
Level of Expertise Student

Primary authors

Bryce Mullens (University of Sydney) Matilde Saura-Múzquiz (University of Sydney) Frederick Marlton (University of Sydney) Helen Brand (Australian Synchrotron) Max Avdeev (Australian Nuclear Science and Technology Organisation, Australian Centre for Neutron Scattering) Brendan Kennedy (The University of Sydney)

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