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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

2025International Journal of Hydrogen Energy20 citationsDOI

Topics & Concepts

Hydrogen storageMolybdenumAlkali metalMaterials scienceElectronic structureHydrogenMetalInorganic chemistryMetallurgyChemistryComputational chemistryAlloyOrganic chemistryHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchNuclear Materials and Properties
Exploring the structural, electronic, optical, mechanical properties and hydrogen storage capabilities of alkali metal molybdenum hydrides XMoH3 (X=Li, Na, K): A DFT study | Litcius