Stability, Electronic Structure and Thermodynamic Properties of Nanostructured MgH<sub>2</sub> Thin Films
Magnesium is an attractive hydrogen storage candidate due to its high gravimetric and volumetric storage capacities (7.6 wt.% and 110 gH<sub>2</sub>/l, respectively). Unfortunately, its use as a storage material for hydrogen is hampered by the high stability of its hydride, its high diss...
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| Autores principales: | , , , , , , , , , |
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| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
MDPI AG
2021
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| Materias: | |
| Acceso en línea: | https://doaj.org/article/65ca5859efa245ff967e43632998b453 |
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| Sumario: | Magnesium is an attractive hydrogen storage candidate due to its high gravimetric and volumetric storage capacities (7.6 wt.% and 110 gH<sub>2</sub>/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 MgH<sub>2</sub> 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 MgH<sub>2</sub> thin films combined with the stress/strain effects induce a significant enhancement in the hydrogen storage properties of MgH<sub>2</sub>. |
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