The storage of hydrogen molecules by Ti atoms coated Si@Al-12 clusters is investigated using the density functional method. Ti atoms are bonding strongly to the surface of Si@Al-12 and are not clustered. TiSi@Al-12 and Ti-2-Si@Al-12 can adsorb 6 and 12 H-2 molecules with the adsorption energy per H-2 of 0.53 and 0.44 eV respectively. The hydrogen gravimetric density of Ti-2-Si@Al-12 center dot 12H(2) is 6.6 wt%, exceeding the 5.5 wt% at 2015 specified by US Department of Energy. Therefore, the stable Si@Al-12 can be applied as one candidate for hydrogen storage materials at near-ambient conditions. (C) 2013 Elsevier B.V. All rights reserved.