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Theoretical approach regarding nanometrology of the metal nanoclusters used in heterogeneous catalysis by powder x-ray diffraction method

N. ALDEA1,* , B. BARZ2, S. PINTEA1, F. MATEI3

Affiliation

  1. National Institute for Research and Development of Isotopic and Molecular Technologies, P.O. Box 700 Cluj-Napoca 5, Romania
  2. University of Missouri Columbia, 223 Physics Building, MO 65211, USA
  3. University of Agricultural Sciences and Veterinary Medicine, Cluj-Napoca, Department of Mathematics and Computer Science, Calea Manastur 3-5, Romania

Abstract

In this paper we discuss a new theoretical approach for determining the metal nanocrystallite size, lattice strain and total probability of faults from the X-ray diffraction line profile broadening. The emphasis is made on the rigorous analysis of the line profiles in terms of Fourier transform. The generalized Fermi distribution function is used for the single X-ray line profile approximation in order to determine the crystallite size and the lattice strain by the deconvolution technique. Our method is implemented in a computer package program developed with Maple 10 software. We apply our method to elaborate the global structure of Au/SiO2 nanoclusters with catalytic applications..

Keywords

X-ray diffraction, Gold nanoclusters, Crystallite size, Microstrain, Stacking fault probability.

Submitted at: July 3, 2007
Accepted at: Oct. 15, 2007

Citation

N. ALDEA, B. BARZ, S. PINTEA, F. MATEI, Theoretical approach regarding nanometrology of the metal nanoclusters used in heterogeneous catalysis by powder x-ray diffraction method, Journal of Optoelectronics and Advanced Materials Vol. 9, Iss. 10, pp. 3293-3296 (2007)