“…In this paper, we use first principles methods to consider whether ScH 2 might be a useful component in destabilized reaction schemes for H 2 storage. Initially, ScH 2 may appear to be rather unpromising, since it only stores 4.3 wt.% H 2 and it is extremely stable; the experimentally observed reaction enthalpy for decomposition was estimated to be 201 and 258 kJ/mol H 2 by different groups [15][16][17][18]. Hydrogen adsorption by Laves phase alloys formed by Sc and heavier elements such as Ni, Co, Mn, and Cr have been studied previously by Akiba and co-workers [19].…”