Global optimization of extraframework ensembles in zeolites: structural analysis of extraframework aluminum species in MOR and MFI zeolites
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DOI: 10.1039/d2cp03603g
Abstract: Metal-modified zeolites are versatile catalytic materials with a wide range of industrial applications. Their catalytic behaviour is determined by the nature of externally introduced cationic species, i.e., its geometry, chemical composition, and location within the… read more here.
Keywords: extraframework aluminum; geometry; global optimization; aluminum species ... See more keywords