Yttrium decorated fullerene C30 as potential hydrogen storage material: Perspectives from DFT simulations
Debolina Paul, Pratap Mane, Utpal Sarkar, Brahmananda Chakraborty
Topics & Concepts
Hydrogen storagePhysisorptionYttriumFullereneDensity functional theoryHydrogenMoleculeAtom (system on chip)ChemistryFullerene chemistryMolecular orbitalAdsorptionHydrogen atomPhysical chemistryAtomic physicsChemical physicsMaterials scienceComputational chemistryOrganic chemistryPhysicsAlkylComputer scienceOxideEmbedded systemHydrogen Storage and MaterialsAdvanced Chemical Physics StudiesBoron and Carbon Nanomaterials Research