Transition from chemisorption to physisorption of H2 on Ti functionalized [2,2,2]paracyclophane: A computational search for hydrogen storage
Rakesh K. Sahoo, Sridhar Sahu
Topics & Concepts
Hydrogen storageAdsorptionPhysisorptionChemisorptionDesorptionDensity functional theoryHydrogenMoleculeGravimetric analysisPhysical chemistryChemistryBinding energyChemical physicsMaterials scienceComputational chemistryOrganic chemistryAtomic physicsPhysicsHydrogen Storage and MaterialsHybrid Renewable Energy SystemsAmmonia Synthesis and Nitrogen Reduction