ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Hydride-ion dynamics in a Barium Titanate Perovskite Oxyhydride
Abstract: Perovskite type oxyhydrides, ATiO3-xHx, A = Sr, Ba, with x < 0.6 [1], 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 hydride-ion conductivity remain to be answered. The current understanding of the hydride-ion dynamics in these materials is primarily based on our results from quasielastic neutron scattering (QENS) experiments on BaTiO3-x-yHx?y (? denoting oxygen vacancies) where we observed a temperature-dependent diffusion mechanism characterized by hydride-ion jumps between nearest-neighbor oxygen vacancies. In addition, we observed in SrTiO2.81H0.13?0.06 fast and localized hydride-ion motions, already at low temperature (100 K), contrasting with the slow and long-range mechanism so far reported with BaTiO3-x-yHx?y. However, the QENS signal is weak and hampered by a large elastic contribution from the disordered perovskite host lattice, and its the analysis is difficult. In order to shed more light on the observed dynamics of SrTiO2.81H0.13?0.06, and investigate the effect of the A site ion (Sr/Ba), we propose a QENS study of BaTiO2.81H0.13?0.06 on the spectrometer LET using polarization analysis as a mean to separate the spin-incoherent scattering from the isotopic nuclear disorder scattering, and from the coherent scattering at Bragg peak positions.
Experimenter: Ms Elena Naumovska
Experimenter: Dr Rasmus Lavén
Experimenter: Dr Michael Koza
Experimenter: Dr Maths Karlsson
Local Contact: Dr Gøran Nilsen
Experimenter: Mr Lucas Fine
DOI: 10.5286/ISIS.E.RB2310341
ISIS Experiment Number: RB2310341
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2310341-1 | LET | 17 July 2026 | Download |
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],
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For Example:
Ms Elena Naumovska et al; (2023): Hydride-ion dynamics in a Barium Titanate Perovskite Oxyhydride, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2310341
Data is released under the CC-BY-4.0 license.
