Hydrogen diffusion in the storage compound Ti0.8Zr0.2CrMnH3

Abstract
High-resolution quasi-elastic neutron scattering has been used to study the hydrogen diffusion in the multi-component Laves phase hydride Ti0.8Zr0.2CrMnH3, one of the most promising hydrogen storage materials for technical applications. The data analysis is complicated by multiple scattering which, even with only moderately scattering samples, leads to a fictitious line broadening at small momentum transfers and considerably hinders the determination of diffusion coefficients. An evaluation procedure is presented which allows for the necessary multiple scattering corrections independent of details of the single diffusive steps. In the temperature range of the study, 230-360K, the hydrogen self-diffusion coefficient in Ti0.8Zr0.2CrMnH3 obeys the Arrhenius law: D=(3+or-1)*10-4 cm2 s-1 exp(-(220+or-20) meV/kBI). This comparatively fast hydrogen diffusion is not the rate determining step in the absorption and desorption kinetics.