Density Functional Theory (DFT) with B3LYP/6-311++g** level has been performed to investigate the electronic structures of cage B(12)H(n) for up to n <= 12 and AlB(12)H(n) for up to n <= 13. Moreover, the computations has been extended to the charged clusters of [B(12)H(12)](q), [AlB(12)H(12)](q) and [AlB(12)H(13)](q) where (q = +/- 1 and +/- 2). Their energetics are calculated and structural analysis have been carried out. Cage form of the B(12) remains stable against to hydrogen adsorptions. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.