Alkali and alkali–earth metal hydrides have high hydrogen storage capacity, but high
operation temperature hinders their use. The alanates and borohydrides of alkali and alkali …

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 …

On the basis of first principle density functional theory, we have studied the stability,
electronic structure, and hydrogen storage capacity of a monolayer calcium doped graphane …

The effect of light metal (M= Li, Be, Mg, and Al) decoration on the stability of metal organic
framework MOF-5 and its hydrogen adsorption is investigated by ab initio and periodic …

Efficient hydrogen storage is essential for the practical applications of hydrogen energy. Mg
has been regarded as one of the most promising hydrogen storage materials to address this …

The kinetics of hydrogen absorption/desorption of Mg-based materials are very sluggish and
the thermodynamics of reaction is also poor. In order to improve the kinetics and …

Abstract Supersaturated Mg (Al) solid solutions with reduced lattice constants were
successfully prepared by ball milling Mg and Al powder mixtures. The microstructure and …

Since the current transportation sector is the largest consumer of oil, and subsequently
responsible for major air pollutants, it is inevitable to use alternative renewable sources of …

The aim of this work is the improvement of the desorption temperature and kinetic properties
in MgH 2 by magnesium vacancy defects V Mg. We use the Korringa–Kohn-Rostoker (KKR) …

Using first-principles calculations we have investigated the possible native point defects in
bulk MgH 2. Due to the interest in this material for hydrogen storage, we have paid particular …