Stability, Electronic Structure and Thermodynamic Properties of Nanostructured MgH<sub>2</sub> Thin Films
Omar Mounkachi,
Asmae Akrouchi,
Ghassane Tiouitchi,
Marwan Lakhal,
Elmehdi Salmani,
Abdelilah Benyoussef,
Abdelkader Kara,
Abdellah El Kenz,
Hamid Ez-Zahraouy,
Amine El Moutaouakil
Affiliations
Omar Mounkachi
Laboratory of Condensed Matter and Sciences Interdisciplinary, Faculty of Science, Mohammed V University, Rabat BP 1014, Morocco
Asmae Akrouchi
Laboratory of Condensed Matter and Sciences Interdisciplinary, Faculty of Science, Mohammed V University, Rabat BP 1014, Morocco
Ghassane Tiouitchi
Modeling, Simulation & Data Analysis Program, Mohammed VI Polytechnic University, Ben Guerir 43150, Morocco
Marwan Lakhal
Ecole Supérieure de Technologie de Laâyoune, Ibn Zohr University, Laayoune BP 3007, Morocco
Elmehdi Salmani
Laboratory of Condensed Matter and Sciences Interdisciplinary, Faculty of Science, Mohammed V University, Rabat BP 1014, Morocco
Abdelilah Benyoussef
Laboratory of Condensed Matter and Sciences Interdisciplinary, Faculty of Science, Mohammed V University, Rabat BP 1014, Morocco
Abdelkader Kara
Department of Physics, University of Central Florida, Orlando, FL 32816, USA
Abdellah El Kenz
Laboratory of Condensed Matter and Sciences Interdisciplinary, Faculty of Science, Mohammed V University, Rabat BP 1014, Morocco
Hamid Ez-Zahraouy
Laboratory of Condensed Matter and Sciences Interdisciplinary, Faculty of Science, Mohammed V University, Rabat BP 1014, Morocco
Amine El Moutaouakil
Department of Electrical and Communication Engineering, College of Engineering, United Arab University, Abu Dhabi, P.O. Box 15551, Al Ain 15551, United Arab Emirates
Magnesium is an attractive hydrogen storage candidate due to its high gravimetric and volumetric storage capacities (7.6 wt.% and 110 gH2/l, respectively). Unfortunately, its use as a storage material for hydrogen is hampered by the high stability of its hydride, its high dissociation temperature of 573–673 K and its slow reaction kinetics. In order to overcome those drawbacks, an important advancement toward controlling the enthalpy and desorption temperatures of nano-structured MgH2 thin films via stress/strain and size effects is presented in this paper, as the effect of the nano-structuring of the bulk added to a biaxial strain on the hydrogen storage properties has not been previously investigated. Our results show that the formation heat and decomposition temperature correlate with the thin film’s thickness and strain/stress effects. The instability created by decreasing the thickness of MgH2 thin films combined with the stress/strain effects induce a significant enhancement in the hydrogen storage properties of MgH2.