ISIS Neutron and Muon Source Data Journal

Hydride-ion dynamics in a Barium Indate?Zirconate Perovskite Oxyhydride

Abstract: Perovskite type oxyhydrides ABO3-xHx are a novel class of hydride-ion (H-) conducting materials that may find diverse applications in the fields of catalysis, topochemical synthesis, and electrochemistry, but fundamental questions surrounding the mechanism of hydrideion conductivity remain to be answered. With previous QENS experiment we investigated proton dynamics on BaZr0.8In0.2O2.9 and observed long-range diffusion associated with proton transfers and O-H reorientations. Similarly, our QENS experiments on the oxyhydride BaTiO3-xHx revealed long-range diffusion of the hydride-ions via various vacancy-assisted hydride-ion hopping mechanisms. With this proposal, we want to study with QENS the nature of hydride-ion dynamics in BaZr0.5In0.5O2.25H0.5. This very recently discovered oxyhydride offers an unprecedented opportunity to compare, with the same technique, proton and hydride-ion diffusion dynamics in identical host lattices. For this purpose, we require two days on OSIRIS. After performing an elastic fixed window scan in the temperature range 2-600 K, we will acquire QENS spectra at the most relevant temperatures.

Principal Investigator: Dr Maths Karlsson
Experimenter: Dr Michael Koza
Local Contact: Dr Franz Demmel
Experimenter: Mr Lucas Fine
Experimenter: Dr Rasmus Lavén
Experimenter: Ms Elena Naumovska

DOI: 10.5286/ISIS.E.RB2310344

ISIS Experiment Number: RB2310344

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:
Dr Maths Karlsson et al; (2025): Hydride-ion dynamics in a Barium Indate?Zirconate Perovskite Oxyhydride, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2310344

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