Adsorption of NO, NO<sub>2</sub> and H<sub>2</sub>O in divalent cation faujasite type zeolites: a density functional theory screening approach
Ayoub Daouli, Etienne Paul Hessou, Hubert Monnier, Marie-Antoinette Dziurla, A. Hasnaoui, Guillaume Maurin, Michaël Badawi
Abstract
molecules, which paves the way towards the use of these sorbents to address this challenging application.
Topics & Concepts
SorbentDensity functional theoryFaujasiteChemistryDivalentAdsorptionNOxMoleculeZeoliteInorganic chemistryComputational chemistryPhysical chemistryCatalysisOrganic chemistryCombustionCatalytic Processes in Materials ScienceZeolite Catalysis and SynthesisIndustrial Gas Emission Control