Stability, Electronic Structure and Thermodynamic Properties of Nanostructured MgH2 Thin Films

Magnesium is an attractive hydrogen storage candidate due to its high gravimetric and volumetric capacities (7.6 wt.% 110 gH2/l, respectively). Unfortunately, use as a material for hampered by the stability of hydride, dissociation temperature 573–673 K slow reaction kinetics. In order overcome those drawbacks, important advancement toward controlling enthalpy desorption temperatures nano-structured MgH2 thin films via stress/strain size effects presented in this paper, effect nano-structuring bulk added biaxial strain on properties has not been previously investigated. Our results show that formation heat decomposition correlate with film’s thickness strain/stress effects. The instability created decreasing combined induce significant enhancement MgH2.