A first principle study of hydrogen storage in titanium-doped small carbon clusters (C2nTin, n = 2–6)
Rakesh K. Sahoo, Shakti S. Ray, Sridhar Sahu
Topics & Concepts
PhysisorptionChemistryHydrogen storageAdsorptionDensity functional theoryHydrogenCarbon fibersDesorptionMoleculeDopingTitaniumPhysical chemistryComputational chemistryOrganic chemistryMaterials scienceOptoelectronicsComposite numberComposite materialHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchAdvanced Chemical Physics Studies