DFT calculations for adsorption of H2S and other natural gas compounds on (Fe, Co, Ni, Cu and Zn)–Y zeolite clusters
Mateus Urias Cerdeira Braga, Gabriel H. Perin, Leonardo Hadlich de Oliveira, Pedro Augusto Arroyo
Topics & Concepts
AdsorptionZeoliteNatural bond orbitalChemisorptionChemistryvan der Waals forcePhysical chemistryElectronegativityInorganic chemistryDensity functional theoryMoleculeComputational chemistryOrganic chemistryCatalysisIndustrial Gas Emission ControlCatalytic Processes in Materials ScienceCarbon Dioxide Capture Technologies