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A first-principle study on hydrogen storage of metal atoms (M = Li, Ca, Sc, and Ti) coated B40 fullerene composites

Jie Mao, Pan Guo, Ting Zhang, Shengli Zhang, Chuan Liu

2020Computational and Theoretical Chemistry25 citationsDOI

Topics & Concepts

Hydrogen storageGravimetric analysisAdsorptionChemistryHydrogenFullereneDensity functional theoryEnergy storageBinding energyCryo-adsorptionMoleculeComposite materialAtomic physicsPhysical chemistryComputational chemistryMaterials scienceOrganic chemistryPhysicsThermodynamicsPower (physics)Hydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchAdvancements in Battery Materials