Physisorption and chemisorption of CO2 on Fe-MIL-88B derivatives: Impact of the functional groups on the electronic properties and adsorption tendency - A theoretical investigation
Nguyen Thi Thu Ha, Ha Thi Thao, Nguyễn Ngọc Hà
Topics & Concepts
PhysisorptionChemisorptionvan der Waals forceAdsorptionChemistryDensity functional theoryComputational chemistryPolarizabilityElectron affinity (data page)Ionization energyPhysical chemistryChemical physicsMoleculeOrganic chemistryIonizationIonCarbon Dioxide Capture TechnologiesMetal-Organic Frameworks: Synthesis and ApplicationsMembrane Separation and Gas Transport