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The search for environmentally friendly energy sources amid the challenges posed by petroleum usage and diminishing fossil fuel reserves has propelled hydrogen to the forefront. Hydrogen, with its high calorific value and versatile applications, is a promising solution. Metal hydrides, particularly magnesium hydride (MgH2) and strontium hydride (SrH2), offer efficient hydrogen storage options. Density Functional Theory (DFT) simulations, provide insights into the structural and electronic properties of these metal hydrides. Despite challenges such as energy-intensive production and slow-release kinetics, research continues to enhance metal hydride storage, with alkaline earth metals like magnesium holding potential for future hydrogen storage solutions. DFT serves as a valuable computational tool in materials science, facilitating the exploration of electronic properties and contributing to advancements in hydrogen storage technologies.

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Theoretical Study of the Physical Properties of XH2 Hydrides (X = Mg and Sr) for Hydrogen Storage

  • 章节

  • 发表日期：

    2026年

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  • Adil Bardane,
  • El Mahjoub Chakir,
  • Al Ibrahmi El Mehdi,
  • Hassane El Bekkouri,
  • Mohamed Sayouti

摘要

The search for environmentally friendly energy sources amid the challenges posed by petroleum usage and diminishing fossil fuel reserves has propelled hydrogen to the forefront. Hydrogen, with its high calorific value and versatile applications, is a promising solution. Metal hydrides, particularly magnesium hydride (MgH2) and strontium hydride (SrH2), offer efficient hydrogen storage options. Density Functional Theory (DFT) simulations, provide insights into the structural and electronic properties of these metal hydrides. Despite challenges such as energy-intensive production and slow-release kinetics, research continues to enhance metal hydride storage, with alkaline earth metals like magnesium holding potential for future hydrogen storage solutions. DFT serves as a valuable computational tool in materials science, facilitating the exploration of electronic properties and contributing to advancements in hydrogen storage technologies.