Density functional theory based molecular dynamics study on hydrogen storage capacity of C24, B12N12, Al12 N12, Be12O12, Mg12O12, and Zn12O12 nanocages
Morteza Ghorbanzadeh Ahangari, Amin Hamed Mashhadzadeh
Topics & Concepts
NanocagesNanoclustersDensity functional theoryHydrogen storageMoleculeMaterials scienceHydrogenAdsorptionHydrogen bondChemical physicsComputational chemistryNanotechnologyPhysical chemistryChemistryOrganic chemistryCatalysisHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchGraphene research and applications