LLE Review, Volume 91 125 Introduction The transition metal–hydrogen systems have been intensively researched for many years because of the various applications of these systems. A large hydrogen solubility in some transition metals allows their use for safe and high-capacity hydrogen storage.1,2 At the other end of the spectrum, hydrogen ingress at low concentrations can induce mechanical degr...

Hydrogen desorption from hydride matrix is still an open field of research. By means of accurate first-principle molecular dynamics (MD) simulations an Mg–MgH2 interface is selected, studied and characterized. Electronic structure calculations are used to determine the equilibrium properties and the behavior of the surfaces in terms of structural deformations and total energy considerations. Fu...

In this study, the composite material with composition of MgH2-5 wt% SiC has been prepared by co-milling of MgH2 with SiC powder. The effect of milling time and additive on MgH2 structure, i.e. crystallite size, lattice strain, particle size and specific surface area, and also hydrogen desorption properties of obtained composite was evaluated by thermal analyzer method and compared with pure un...