Articles you may be interested inThe different roles of Pu-oxide overlayers in the hydrogenation of Pu-metal: An ab initio molecular dynamics study based on van der Waals density functional (vdW-DF)+U J. Chem. Phys. 140, 164709 (2014) First-principles study of the H 2 interaction with transition metal (Ti, V, Ni) doped Mg(0001) surface: Implications for H-storage materials