Ab initio study of the structural, mechanical, optoelectronic and thermo-physical properties of XGaH5 (X=Ba, Ca, and Mg) compounds for hydrogen storage applications
Çağatay Yamçıçıer, Cihan Kürkçü
Topics & Concepts
Hydrogen storageAb initioMaterials scienceHydrogenAb initio quantum chemistry methodsPhysical chemistryChemistryMoleculeOrganic chemistryHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchSuperconductivity in MgB2 and Alloys