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The solution states of metal atoms in Ti1−xVxH2, the stability of ordered ground-state structures, and the effect of metal-atom configurations on the bonding strength of H atoms are investigated by combining the cluster expansion method with first-principles calculations. Formation energies of all possible configurations of metal atoms in CaF2-type structures with up to sixteen metal atoms calculated...
Activation of TiFe for hydrogen storage by severe plastic deformation (SPD) through ball milling technique and the effect of microstructure on this activation have been investigated. TiFe becomes activated after the ball milling and is not deactivated after exposure to air, similar to TiFe activated by high-pressure torsion (HPT). The hydrogenation capacity reaches 1.3–1.5wt.% at 303K for the first...
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