Ab-initio investigation of hydrogen sorption in Ti functionalized modified calix[4]pyrrole-benzene
Rohit Y. Sathe
Topics & Concepts
PyrroleHydrogen storageBenzeneHydrogenSorptionDesorptionAdsorptionDensity functional theoryChemistryAb initioInorganic chemistryMaterials sciencePhysical chemistryComputational chemistryOrganic chemistryHydrogen Storage and MaterialsMetal-Organic Frameworks: Synthesis and ApplicationsHybrid Renewable Energy Systems