Locating Cu in Zeolite SSZ-13 by Synchrotron PXRD Using Maximum Entropy Method
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چکیده
منابع مشابه
Location of Cu2+ in CHA zeolite investigated by X-ray diffraction using the Rietveld/maximum entropy method
Accurate structural models of reaction centres in zeolite catalysts are a prerequisite for mechanistic studies and further improvements to the catalytic performance. The Rietveld/maximum entropy method is applied to synchrotron powder X-ray diffraction data on fully dehydrated CHA-type zeolites with and without loading of catalytically active Cu(2+) for the selective catalytic reduction of NO x...
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متن کاملRevisiting the nature of Cu sites in the activated Cu-SSZ-13 catalyst for SCR reaction† †Electronic supplementary information (ESI) available: experimental section (sample description, in situ FTIR spectroscopy, synchrotron characterization, DFT-based analysis of XAS and XES data); XAS of hydrated Cu-SSZ-13; reversibility of the Cu(i) ↔ Cu(ii) redox chemistry and extra-ligand loss process upon high-temperature gas-flow switching; full report on DFT-optimized geometries; full report on EXAFS fitting results on O2-activated Cu-SSZ-13; EXAFS spectra for a low Cu-loading Cu-SSZ-13 sample after O2-activation at 400 °C. See DOI: 10.1039/c4sc02907k Click here for additional data file.
Department of Chemistry and INSTM Refe Giuria 7, 10125 Turin, Italy. E-mail: carlo.l NIS Centre of Excellence, University of Turi Haldor Topsøe A/S, Nymøllevej 55, 2800 Kg CrisDI Center of Crystallography, Universit Southern Federal University, Zorge street 5 † Electronic supplementary information (sample description, in situ FTIR spectr DFT-based analysis of XAS and XES reversibility of the Cu...
متن کاملStructural snapshots of the SCR reaction mechanism on Cu-SSZ-13.
The structure of copper sites in Cu-SSZ-13 during NH3-SCR was unravelled by a combination of novel operando X-ray spectroscopic techniques. Strong adsorption of NH3 on Cu, its reaction with weakly adsorbed NO from the gas phase, and slow re-oxidation of Cu(I) were proven. Thereby the SCR reaction mechanism is significantly different to that observed for Fe-ZSM-5.
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2014
ISSN: 2053-2733
DOI: 10.1107/s2053273314086550