Hydride-ion jump-diffusion dynamics in the oxyhydride BaTiO2.9H0.1
This proposal requests 2 days on IN16 and 3 days on IN5 to investigate the diffusional dynamics of hydride-ions in the novel perovskite type oxyhydride BaTiO2.9H0.1. Perovskite type oxyhydrides are an emerging class of materials that may find diverse applications, ranging from catalysis, topochemical synthesis to solid state ionics, but the mechanism of hydride-ion transport is at present unclear. Of specific concern here, we, with this proposal, want to consolidate, or disprove, an earlier QENS study that indicates that the hydride-ion dynamics can be described by a jump-diffusion mechanism with the jump-diffusion pathway changing from a low-temperature to a high-temperature behaviour. Dynamics data form computer simulations, which will help in the evaluation of the neutron data.
The data is currently only available to download if you are a member of the proposal team.
The recommended format for citing this dataset in a research publication is in the following format:
KARLSSON Maths; FINE Lucas; KOZA Michael Marek; LAVEN Rasmus and NAUMOVSKA Elena. (2021). Hydride-ion jump-diffusion dynamics in the oxyhydride BaTiO2.9H0.1. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-03-206
This data is not yet public
This data is not yet public
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