Exploring the structural, electronic, optical, mechanical properties and hydrogen storage capabilities of alkali metal molybdenum hydrides XMoH3 (X=Li, Na, K): A DFT study
Zeesham Abbas, Dildar Hussain, Bilal Ahmed, Amna Aslam, Amna Parveen, Abdullah M. Al‐Enizi
Topics & Concepts
Hydrogen storageMolybdenumAlkali metalMaterials scienceElectronic structureHydrogenMetalInorganic chemistryMetallurgyChemistryComputational chemistryAlloyOrganic chemistryHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchNuclear Materials and Properties