Atomic-scale structure of nanocrystals by the atomic pair distribution function technique

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Abstract

The approach of the atomic pair distribution function (PDF) technique to determine the atomic-scale structure of nanocrystalline materials is introduced and illustrated with results of studies on V2O5 nanotubes and clusters of Cs atoms intercalated inside the pores of the zeolite ITQ-4. We find that V2O5 nanotubes are built of double layers of V-O5 and V-O4 units. Inside the channels in ITQ-4 Cs atoms are found to assemble in short-range ordered zigzag chains.

Original languageEnglish
Pages (from-to)101-105
Number of pages5
JournalMolecular Simulation
Volume31
Issue number2-3
DOIs
StatePublished - Feb 15 2005

Keywords

  • Bragg peaks
  • Structure determination
  • VO nanotubes
  • X-ray diffraction

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