Thermal- and photoactivation of aluminum hydride decomposition

Processes occurring in the phase of AlH3 dehydrogenation incubation that precedes the active decomposition of the hydride and is evidently accompanied by a change in its material properties are investigated by thermal desorption spectroscopy and barometry. The electronic structures of α-AlH3 and α-AlH3:V(H0) (i.e., aluminum hydride with a neutral hydrogen atom removed) are calculated by the density functional method. It is shown that hydrogen vacancies are the source of nuclei for the metallic phase, and their emergence could be thermally activated. It is established that UV irradiation also leads to the formation of hydrogen vacancies in α-AlH3. A description of the probable mechanism for the accumulation of hydrogen vacancies at elevated temperatures and finally to the appearance of metallic phase nuclei is offered. It is shown that UV irradiation allows us to lower the temperature of the dehydrogenation of α-AlH3 crystals.