Enhanced hydrogen desorption properties of LiAlH by doping lithium metatitanate.

High efficiency catalysts are needed to improve the kinetics of complex hydrides for practical applications. In this study, lithium metatitanate (LiTiO) is introduced in lithium alanate (LiAlH), and the catalytic effect for notable complex/metal hydrides, such as LiAlH, is investigated. Experiment results indicate that LiTiO improves the kinetics of LiAlH. In particular, LiTiO dramatically improves the onset temperature of LiAlH, which decreases to 75 °C and is within the temperature range for use in proton exchange membrane fuel cells. Transmission electron microscopy (TEM) observations help understand the catalytic effect of LiTiO in the nanoscale. First principles calculations also show the improvement of H and Li mobility by doping LiTiO, where calculations indicate that the physical origin of the catalytic effect is due to two factors: charge transfer and minor surface relaxation. Thus, experimental and theoretical evidence reveals the catalytic mechanism of LiTiO in LiAlH.