BH₄⁻ self-siffusion in liquid LiBH₄
- Martelli, Pascal Empa Swiss Federal Laboratories for Materials Science and Technology, Dübendorf, Switzerland - Physics Department, University of Fribourg, Switzerland
- Remhof, Arndt Empa Swiss Federal Laboratories for Materials Science and Technology, Dübendorf, Switzerland
- Borgschulte, Andreas Empa Swiss Federal Laboratories for Materials Science and Technology, Dübendorf, Switzerland
- Mauron, Philippe Empa Swiss Federal Laboratories for Materials Science and Technology, Dübendorf, Switzerland
- Wallacher, Dirk Department Methods and Instruments, Helmholtz-Zentrum Berlin, Germany
- Kemner, Ewout Department Methods and Instruments, Helmholtz-Zentrum Berlin, Germany
- Russina, Margarita Department Methods and Instruments, Helmholtz-Zentrum Berlin, Germany
- Pendolino, Flavio Empa Swiss Federal Laboratories for Materials Science and Technology, Dübendorf, Switzerland
- Züttel, Andreas Empa Swiss Federal Laboratories for Materials Science and Technology, Dübendorf, Switzerland - Physics Department, University of Fribourg, Switzerland
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31.08.2010
Published in:
- The Journal of Physical Chemistry A. - 2010, vol. 114, no. 37, p. 10117–10121
English
The hydrogen dynamics in solid and in liquid LiBH₄ was studied by means of incoherent quasielastic neutron scattering. Rotational jump diffusion of the BH₄⁻ subunits on the picosecond scale was observed in solid LiBH₄. The characteristic time constant is significantly shortened when the system transforms from the low-temperature phase to the high-temperature phase at 383 K. In the molten phase of LiBH₄ above 553 K, translational diffusion of the BH₄⁻ units is found. The measured diffusion coefficients are in the 10⁻⁵cm²/s range at temperatures around 700 K, which is in the same order of magnitude as the self-diffusion of liquid lithium or the diffusion of ions in molten alkali halides. The temperature dependence of the diffusion coefficient shows an Arrhenius behavior, with an activation energy of Ea = 88 meV and a prefactor of D₀ = 3.1 × 10⁻⁴cm²/s.
- Faculty
- Faculté des sciences et de médecine
- Department
- Département de Physique
- Language
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- English
- Classification
- Physics
- License
- License undefined
- Identifiers
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- RERO DOC 21697
- DOI 10.1021/jp105585h
- Persistent URL
- https://folia.unifr.ch/unifr/documents/301846
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