Theoretical Study of Zirconium Isomorphous Substitution into Zeolite Frameworks
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DOI: 10.3390/molecules24244466
Abstract: Systematic periodic density functional theory computations including dispersion correction (DFT-D) were carried out to determine the preferred location site of Zr atoms in sodalite (SOD) and CHA-type topology frameworks, including alumino-phosphate-34 (AlPO-34) and silico-alumino-phosphate-34 (SAPO-34),… read more here.
Keywords: substituted forms; nsted acidity; site; acidity ... See more keywords