Diffusional Dynamics of Hydride Ions in the Layered Oxyhydride SrVO₂H Article Swipe

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Rasmus Lavén , Ulrich Häußermann , Adrien Perrichon , Mikael S. Andersson , Michael Sannemo Targama , F. Demmel , Maths Karlsson ·

YOU? · · 2021 · Open Access · · DOI: https://doi.org/10.1021/acs.chemmater.1c00505

Perovskite-type oxyhydrides are hydride-ion-conducting materials of promise for several types of technological applications; however, the conductivity is often too low for practical use and, on a fundamental level, the mechanism of hydride-ion diffusion remains unclear. Here, we, with the use of neutron scattering techniques, investigate the diffusional dynamics of hydride ions in the layered perovskite-type oxyhydride SrVO₂H. By monitoring the intensity of the elastically scattered neutrons upon heating the sample from 100 to 430 K, we establish an onset temperature for diffusional hydride-ion dynamics at about 250 K. Above this temperature, the hydride ions are shown to exhibit two-dimensional diffusion restricted to the hydride-ion sublattice of SrVO₂H and that occurs as a series of jumps of a hydride ion to a neighboring hydride-ion vacancy, with an enhanced rate for backward jumps due to correlation effects. Analysis of the temperature dependence of the neutron scattering data shows that the localized jumps of hydride ions are featured by a mean residence time of the order of 10 ps with an activation energy of 0.1 eV. The long-range diffusion of hydride ions occurs on the timescale of 1 ns and with an activation energy of 0.2 eV. The hydride-ion diffusion coefficient is found to be of the order of 1 × 10^-6 cm² s^-1 in the temperature range of 300-430 K, which is similar to other oxyhydrides but higher than for proton-conducting perovskite analogues. Tuning of the hydride-ion vacancy concentration in SrVO₂H thus represents a promising gateway to improve the ionic conductivity of this already highly hydride-ion-conducting material.

Related Topics

Hydride

Ion

Chemistry

Diurnal Air Temperature Variation

Perovskite (Structure)

Concepts

Hydride Ion Diffusion Chemistry Activation energy Atmospheric temperature range Perovskite (structure) Analytical Chemistry (journal) Vacancy defect Proton Materials science Chemical physics Inorganic chemistry Physical chemistry Atomic physics Crystallography Hydrogen Thermodynamics Nuclear physics Physics Organic chemistry

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Type: article
Language: en
Landing Page: https://doi.org/10.1021/acs.chemmater.1c00505
PDF: https://pubs.acs.org/doi/pdf/10.1021/acs.chemmater.1c00505
OA Status: hybrid
Cited By: 14
References: 35
Related Works: 10
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DOI: https://doi.org/10.1021/acs.chemmater.1c00505

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Title: Diffusional Dynamics of Hydride Ions in the Layered Oxyhydride SrVO₂H

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Type: article

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Language: en

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Publication year: 2021

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Publication date: 2021-04-12

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Authors: Rasmus Lavén, Ulrich Häußermann, Adrien Perrichon, Mikael S. Andersson, Michael Sannemo Targama, F. Demmel, Maths Karlsson

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Landing page: https://doi.org/10.1021/acs.chemmater.1c00505

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PDF URL: https://pubs.acs.org/doi/pdf/10.1021/acs.chemmater.1c00505

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Concepts: Hydride, Ion, Diffusion, Chemistry, Activation energy, Atmospheric temperature range, Perovskite (structure), Analytical Chemistry (journal), Vacancy defect, Proton, Materials science, Chemical physics, Inorganic chemistry, Physical chemistry, Atomic physics, Crystallography, Hydrogen, Thermodynamics, Nuclear physics, Physics, Organic chemistry

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Cited by: 14

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Diffusional Dynamics of Hydride Ions in the Layered Oxyhydride SrVO2H Article Swipe

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Diffusional Dynamics of Hydride Ions in the Layered Oxyhydride SrVO₂H Article Swipe