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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >BH_4~- Self-diffusion in liquid LiBH_4
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BH_4~- Self-diffusion in liquid LiBH_4

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The hydrogen dynamics in solid and in liquid LiBH_4 was studied by means of incoherent quasielastic neutron scattering. Rotational jump diffusion of the BH_4~- subunits on the picosecond scale was observed in solid LiBH_4. 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 LiBH _4 above 553 K, translational diffusion of the BH_4~- units is found. The measured diffusion coefficients are in the 10~(-5)cm~2/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 E_a = 88 meV and a prefactor of D_0 = 3.1 ×10 ~(-4)cm~2/s.

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