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  • CHA zeolitescatalytic activitylocation of Cu2+synchrotron powder X-ray diffractionRietveld/maximum entropy method  (1)
  • biological solution small-angle X-ray scattering (BioSAXS)synchrotron radiationbeamlinesstructural complexitybiostructural research  (1)
  • International Union of Crystallography (IUCr)  (2)
  • American Association of Petroleum Geologists (AAPG)
  • 2010-2014  (2)
  • 1980-1984
  • 1970-1974
  • 1925-1929
Collection
Keywords
Publisher
  • International Union of Crystallography (IUCr)  (2)
  • American Association of Petroleum Geologists (AAPG)
Years
  • 2010-2014  (2)
  • 1980-1984
  • 1970-1974
  • 1925-1929
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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    Investigating increasingly complex macromolecular systems with small-angle X-ray scattering (2014)
    International Union of Crystallography (IUCr)
    In: IUCrJ
    Details
    Publication Date: 2014-11-12
    Description: The biological solution small-angle X-ray scattering (BioSAXS) field has undergone tremendous development over recent decades. This means that increasingly complex biological questions can be addressed by the method. An intricate synergy between advances in hardware and software development, data collection and evaluation strategies and implementations that readily allow integration with complementary techniques result in significant results and a rapidly growing user community with ever increasing ambitions. Here, a review of these developments, by including a selection of novel BioSAXS methodologies and recent results, is given.
    Keywords: biological solution small-angle X-ray scattering (BioSAXS)synchrotron radiationbeamlinesstructural complexitybiostructural research
    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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