ISIS Neutron and Muon Source Data Journal

Neutron diffraction study of A-site deficient hydrated Perovskites

Abstract: Transition metal ions can be easily introduced in the B-site of perovskites with general formula ABO3 and exsolved on their surfaces upon reduction, to enhance the catalytic properties in energy applications such as solid oxide cells. Based on the stoichiometries we explored so far, we have good experimental evidence to believe that Ni2+ ions could also be substituted on the A-site of hydrated CaTiO3 and then exsolved upon reduction. Formation of unusual non-stoichiometries with a large proportion of A-site deficiency would be associated with the incorporation of hydroxyl ions in the perovskite structure, and the hydration enhanced proton conductivity. Neutron diffraction study will deepen our understanding of the substitution mechanisms and indeed the indications of protonic conduction allowing for a better design and tailoring of new catalysts and energy materials.

Principal Investigator: Professor John Irvine
Experimenter: Dr Jingoo Lee
Local Contact: Dr Alexandra Gibbs
Experimenter: Dr Cristian Savaniu
Experimenter: Dr Julia Payne
Experimenter: Dr Martin Jones
Experimenter: Dr Aaron Naden

DOI: 10.5286/ISIS.E.RB1920629

ISIS Experiment Number: RB1920629

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor John Irvine et al; (2019): Neutron diffraction study of A-site deficient hydrated Perovskites, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1920629

Data is released under the CC-BY-4.0 license.