Investigation of the effect of oxygen-containing groups on the hydrogen adsorption behavior of CSCNTs using density functional theory
Yang Li, Huanpeng Liu, Xiang Li, Hangyi Yu
Topics & Concepts
AdsorptionDensity functional theoryMoleculeHydrogenSteric effectsChemistryOxygenGrapheneHydrogen atomCarbon nanotubeCrystallographyComputational chemistryPhysical chemistryMaterials scienceNanotechnologyStereochemistryOrganic chemistryGroup (periodic table)Hydrogen Storage and MaterialsGraphene research and applicationsBoron and Carbon Nanomaterials Research