On the Catalytic Mechanism of 3d and 4d Transition-Metal-Based Materials on the Hydrogen Sorption Properties of Mg/MgH2

The slow hydrogenation/dehydrogenation kinetics and high thermodynamic stability of the Mg–H bond are two major limitations for large-scale utilization MgH2. In this review, we introduce catalytic mechanism 3d 4d transition metal (TM) on hydrogen sorption properties Mg/MgH2. relative contribution interatomic interactions to TM-substituted MgH2 system is discussed. A synergy effect between electronegativity radius TM element proposed explain charge transfer process H in system. nearby surface Mg more complicated than that volume Mg, as surface-doped can experience options doping sites, leading hindrance causing various contributions d band center dissociation molecules diffusion atoms Mg. terms Mg/MgH2, particularly focused “hydrogen pump” existing Mg–TM–H Other mechanisms, such a possible nano-sized freestanding were also presented.