using ab initio calculations, the hydrogen desorption from magnesium hydride (mgh2) was studied. we presented the calculated nuclear quadrupole coupling constants (nqccs) of hydrogen atom in various systems of mgh2. the effect of interactions of some metal atoms as well as boron atom with mgh2 host matrix; (mgh2+m) nanostructures (m=al, ti, v, fe, ni and b); were studied and 2h-nqccs were calcu...

Dehydrocoupling reactions between the boranes HBpin and 9-borabicyclo[3.3.1]nonane and a range of amines and anilines ensue under very mild reaction conditions in the presence of a simple β-diketiminato magnesium n-butyl precatalyst. The facility of the reactions is suggested to be a function of the Lewis acidity of the borane substrate, and is dictated by resultant pre-equilibria between, and ...

The effect of hydrogen on the corrosion and stress corrosion cracking of the magnesium AZ91 alloy has been investigated in aqueous solutions. Hydrogen produced by corrosion in water diffuses into, and reacts with the Mg matrix to form hydride. Some of the hydrogen accumulates at hydride/Mg matrix (or secondary phase) interfaces as a consequence of slow hydride formation and the incompatibility ...

Magnesium is considered one of the most promising materials for reversible hydrogen storage, because it has high storage capacity. However, the high thermodynamic stability of magnesium hydride is unfavorable for dehydrogenation processes. Understanding the bonding nature of Mg and H is essential for improving its dehydrogenation performance. Therefore, the charge density distribution in MgH2 w...

We have synthesized a new metastable metal hydride with promising hydrogen storage properties. Body centered cubic (bcc) magnesium niobium hydride (Mg(0.75)Nb(0.25))H(2) possesses 4.5 wt% hydrogen gravimetric density, with 4 wt% being reversible. Volumetric hydrogen absorption measurements yield an enthalpy of hydride formation of -53 kJ mol(-1) H(2), which indicates a significant thermodynamic...