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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

2024International Journal of Hydrogen Energy63 citationsDOI

Topics & Concepts

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