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  • CHA zeolitescatalytic activitylocation of Cu2+synchrotron powder X-ray diffractionRietveld/maximum entropy method  (1)
  • biological membraneslipidsbilayerslipid–protein assemblieshigh-pressure studies  (1)
  • International Union of Crystallography (IUCr)  (2)
  • Public Library of Science
  • 2010-2014  (2)
Collection
Keywords
Publisher
  • International Union of Crystallography (IUCr)  (2)
  • Public Library of Science
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  • 2010-2014  (2)
Year
  • 1
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    Location of Cu2+ in CHA zeolite investigated by X-ray diffraction using the Rietveld/maximum entropy method (2014)
    International Union of Crystallography (IUCr)
    In: IUCrJ
    Details
    Publication Date: 2014-11-12
    Description: 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 Cu2+ for the selective catalytic reduction of NOx with NH3. The method identifies the known Cu2+ sites in the six-membered ring and a not previously observed site in the eight-membered ring. The sum of the refined Cu occupancies for these two sites matches the chemical analysis and thus all the Cu is accounted for. It is furthermore shown that approximately 80% of the Cu2+ is located in the new 8-ring site for an industrially relevant CHA zeolite with Si/Al = 15.5 and Cu/Al = 0.45. Density functional theory calculations are used to corroborate the positions and identity of the two Cu sites, leading to the most complete structural description of dehydrated silicoaluminate CHA loaded with catalytically active Cu2+ cations.
    Keywords: CHA zeolitescatalytic activitylocation of Cu2+synchrotron powder X-ray diffractionRietveld/maximum entropy method
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
    Published by International Union of Crystallography (IUCr)
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  • 2
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    Pressure effects on lipids and bio-membrane assemblies (2014)
    International Union of Crystallography (IUCr)
    In: IUCrJ
    Details
    Publication Date: 2014-11-12
    Description: Membranes are amongst the most important biological structures; they maintain the fundamental integrity of cells, compartmentalize regions within them and play an active role in a wide range of cellular processes. Pressure can play a key role in probing the structure and dynamics of membrane assemblies, and is also critical to the biology and adaptation of deep-sea organisms. This article presents an overview of the effect of pressure on the mesostructure of lipid membranes, bilayer organization and lipid–protein assemblies. It also summarizes recent developments in high-pressure structural instrumentation suitable for experiments on membranes.
    Keywords: biological membraneslipidsbilayerslipid–protein assemblieshigh-pressure studies
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
    Published by International Union of Crystallography (IUCr)
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    PAPER CURRENT
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