Hydrogen storage efficiency is essential for a booming clean hydrogen energy economy. Mg-
based hydrogen storage materials have been intensively investigated due to their …

The slow hydrogenation/dehydrogenation kinetics and high thermodynamic stability of the
Mg–H bond are the two major limitations for the large-scale utilization of MgH2. In this …

A DFT study is performed to understand the underlying mechanisms behind the
improvement of hydrogen storage properties of MgH 2 doped with different transition metals …

Although electricity storage plays a decisive role for the German “Energiewende,” and it has
become evident that the successful diffusion of technologies is not only a question of …

Abstract Using the Korringa–Kohn–Rostoker method, the effect of doping with transition
metals and creating magnesium vacancies into MgH 2 is investigated ab to improve its …

Understanding the fundamental reasons behind the degradation of FeTi material is crucial
for its engineering applications. Regretfully, efforts to explain the origins of this behavior …

Mg–Al alloys were prepared via sintering combined with ball milling, and the effect of a
transition metal (TM= Ti, V, Ni) on the hydrogen storage properties of these alloys was …

The effect of single and double substitution with lightweight elements Boron (B) and Lithium
(Li) on the thermodynamic properties of MgH 2 are investigated by using first principles …

Using Ab-initio calculations, we investigate the destabilizing effects of co-doped MgH 2 with
Li and TM (Sc, Ti, V, Cr, Y, Zr, Nb, Mo). The calculations are performed using the all-electron …

Magnesium is an attractive hydrogen storage candidate due to its high gravimetric and
volumetric storage capacities (7.6 wt.% and 110 gH2/l, respectively). Unfortunately, its use …