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Title: Hydrogen mobility in the lightest reversible metal hydride, LiBeH 3

Lithium-beryllium metal hydrides, which are structurally related to their parent compound, BeH 2, offer the highest hydrogen storage capacity by weight among the metal hydrides (15.93 wt. % of hydrogen for LiBeH 3). Challenging synthesis protocols have precluded conclusive determination of their crystallographic structure to date, but here we analyze directly the hydrogen hopping mechanisms in BeH 2 and LiBeH 3 using quasielastic neutron scattering, which is especially sensitive to single-particle dynamics of hydrogen. We find that, unlike its parent compound BeH 2, lithium-beryllium hydride LiBeH 3 exhibits a sharp increase in hydrogen mobility above 265 K, so dramatic that it can be viewed as melting of hydrogen sublattice. We perform comparative analysis of hydrogen jump mechanisms observed in BeH 2 and LiBeH 3 over a broad temperature range. As microscopic diffusivity of hydrogen is directly related to its macroscopic kinetics, a transition in LiBeH 3 so close to ambient temperature may offer a straightforward and effective mechanism to influence hydrogen uptake and release in this very lightweight hydrogen storage compound.
Authors:
 [1] ; ORCiD logo [1] ;  [2] ;  [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
  2. Arizona State Univ., Tempe, AZ (United States). Dept. of Chemistry and Biochemistry
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 7; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; Hydrogen storage
OSTI Identifier:
1426583

Mamontov, Eugene, Kolesnikov, Alexander I., Sampath, Sujatha, and Yarger, Jeffery L.. Hydrogen mobility in the lightest reversible metal hydride, LiBeH3. United States: N. p., Web. doi:10.1038/s41598-017-16504-0.
Mamontov, Eugene, Kolesnikov, Alexander I., Sampath, Sujatha, & Yarger, Jeffery L.. Hydrogen mobility in the lightest reversible metal hydride, LiBeH3. United States. doi:10.1038/s41598-017-16504-0.
Mamontov, Eugene, Kolesnikov, Alexander I., Sampath, Sujatha, and Yarger, Jeffery L.. 2017. "Hydrogen mobility in the lightest reversible metal hydride, LiBeH3". United States. doi:10.1038/s41598-017-16504-0. https://www.osti.gov/servlets/purl/1426583.
@article{osti_1426583,
title = {Hydrogen mobility in the lightest reversible metal hydride, LiBeH3},
author = {Mamontov, Eugene and Kolesnikov, Alexander I. and Sampath, Sujatha and Yarger, Jeffery L.},
abstractNote = {Lithium-beryllium metal hydrides, which are structurally related to their parent compound, BeH2, offer the highest hydrogen storage capacity by weight among the metal hydrides (15.93 wt. % of hydrogen for LiBeH3). Challenging synthesis protocols have precluded conclusive determination of their crystallographic structure to date, but here we analyze directly the hydrogen hopping mechanisms in BeH2 and LiBeH3 using quasielastic neutron scattering, which is especially sensitive to single-particle dynamics of hydrogen. We find that, unlike its parent compound BeH2, lithium-beryllium hydride LiBeH3 exhibits a sharp increase in hydrogen mobility above 265 K, so dramatic that it can be viewed as melting of hydrogen sublattice. We perform comparative analysis of hydrogen jump mechanisms observed in BeH2 and LiBeH3 over a broad temperature range. As microscopic diffusivity of hydrogen is directly related to its macroscopic kinetics, a transition in LiBeH3 so close to ambient temperature may offer a straightforward and effective mechanism to influence hydrogen uptake and release in this very lightweight hydrogen storage compound.},
doi = {10.1038/s41598-017-16504-0},
journal = {Scientific Reports},
number = 1,
volume = 7,
place = {United States},
year = {2017},
month = {11}
}