Uncovering the hydride ion diffusion pathway in barium hydride via neutron spectroscopy View Full Text


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Article Info

DATE

2022-04-13

AUTHORS

Eric Novak, Luke Daemen, Anibal Javier Ramirez-Cuesta, Yongqiang Cheng, Robert Smith, Takeshi Egami, Niina Jalarvo

ABSTRACT

Solid state materials possessing the ability for fast ionic diffusion of hydrogen have immense appeal for a wide range of energy-related applications. Ionic hydrogen transport research is dominated by proton conductors, but recently a few examples of hydride ion conductors have been observed as well. Barium hydride, BaH2, undergoes a structural phase transition around 775 K that leads to an order of magnitude increase in the ionic conductivity. This material provides a prototypical system to understand hydride ion diffusion and how the altered structure produced by the phase transition can have an enormous impact on the diffusion. We employ quasielastic and inelastic neutron scattering to probe the atomic scale diffusion mechanism and vibrational dynamics of hydride ions in both the low- and high-temperature phases. Jump lengths, residence times, diffusion coefficients, and activation energies are extracted and compared to the crystal structure to uncover the diffusion pathways. We find that the hydrogen jump distances, residence times, and energy barriers become reduced following the phase transition, allowing for the efficient conduction of hydride ions through a series of hydrogen jumps of length L = 3.1 Å. More... »

PAGES

6194

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1038/s41598-022-10199-8

DOI

http://dx.doi.org/10.1038/s41598-022-10199-8

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PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/35418572


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205 grid-institutes:grid.411461.7 schema:alternateName Department of Physics and Astronomy, University of Tennessee, 37996, Knoxville, TN, USA
206 schema:name Department of Materials Science and Engineering, University of Tennessee, 37996, Knoxville, TN, USA
207 Department of Physics and Astronomy, University of Tennessee, 37996, Knoxville, TN, USA
208 Materials Science and Technology Division, Oak Ridge National Laboratory, 37831, Oak Ridge, TN, USA
209 rdf:type schema:Organization
210 grid-institutes:grid.8385.6 schema:alternateName Jülich Centre for Neutron Science, Forschungszentrum Jülich GmbH, 52425, Jülich, Germany
211 schema:name Department of Materials Science and Engineering, University of Tennessee, 37996, Knoxville, TN, USA
212 Jülich Centre for Neutron Science, Forschungszentrum Jülich GmbH, 52425, Jülich, Germany
213 Neutron Sciences Directorate, Oak Ridge National Laboratory, 37831, Oak Ridge, TN, USA
214 rdf:type schema:Organization
 




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