MUBARAK, A. A. - In: Surface Review and Letters (SRL) 20 (2013) 03, pp. 1350025-1
This study presents an ab initio investigation of the interaction of Al5H12 with the alloying transition elements (TM) in the TMAl5H12 (TM = Ti, V, Fe, Co and Ni). Hydrogen atoms are found to prefer the tetrahedral sites in the fcc Al bulk system with a binding energy that is more energetically...