Computational assessment of MgXH<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si72.svg" display="inline" id="d1e901"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math> (X = Al, Sc and Zr) hydrides materials for hydrogen storage applications
S. Bahhar, Abdellah Tahiri, A. Jabar, Mohamed Louzazni, Mohamed Idiri, H. Bioud
Topics & Concepts
CASTEPHydrogen storageBulk modulusDensity functional theoryMaterials scienceThermodynamicsPhysical chemistryChemistryPhysicsComputational chemistryComposite materialAlloyHydrogen Storage and MaterialsMagnesium Alloys: Properties and ApplicationsSuperconductivity in MgB2 and Alloys