A systematic DFT screening of cationic faujasite-type zeolites for the adsorption of NO, NO<sub>2</sub> and H<sub>2</sub>O
Ioannis Karamanis, Ayoub Daouli, Hubert Monnier, Marie-Antoinette Dziurla, Guillaume Maurin, Michaël Badawi
Abstract
Unlocking the selective adsorption of NO and NO 2 in presence of H 2 O in cationic zeolites: a systematic DFT screening of key questions and properties.
Topics & Concepts
FaujasiteCationic polymerizationAdsorptionType (biology)ChemistryMaterials sciencePhysical chemistryZeoliteInorganic chemistryOrganic chemistryCatalysisGeologyPaleontologyCatalytic Processes in Materials ScienceAmmonia Synthesis and Nitrogen ReductionZeolite Catalysis and Synthesis