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Hydrogen mobility in the lightest reversible metal hydride, LiBeH3
Eugene Mamontov1, Alexander I Kolesnikov2, Sujatha Sampath3
1Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. mamontove@ornl.gov.
Scientific Reports
|November 28, 2017
Summary
Lithium-beryllium hydride (LiBeH3) shows a dramatic increase in hydrogen mobility near room temperature, suggesting a new pathway for efficient hydrogen storage. This finding is crucial for developing advanced hydrogen storage materials.
Area of Science:
- Materials Science
- Chemistry
- Physics
Background:
- Lithium-beryllium metal hydrides possess the highest gravimetric hydrogen storage capacity among metal hydrides.
- Structural determination of LiBeH3 has been challenging, hindering understanding of its properties.
Purpose of the Study:
- To investigate hydrogen hopping mechanisms in BeH2 and LiBeH3.
- To understand the dynamics of hydrogen mobility in these lightweight hydrogen storage compounds.
Main Methods:
- Quasielastic neutron scattering (QENS) was employed to study single-particle hydrogen dynamics.
- Comparative analysis of hydrogen jump mechanisms across a wide temperature range.
Main Results:
- LiBeH3 exhibits a significant increase in hydrogen mobility above 265 K, resembling hydrogen sublattice melting.
- Unlike BeH2, LiBeH3 shows a distinct transition in hydrogen dynamics near ambient temperatures.
- Microscopic hydrogen diffusivity correlates directly with macroscopic hydrogen uptake and release kinetics.
Conclusions:
- The observed transition in LiBeH3's hydrogen mobility near ambient temperature offers a potential mechanism for efficient hydrogen storage.
- This research provides insights into the fundamental hydrogen dynamics critical for developing advanced hydrogen storage materials.
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