"

Cookies ussage consent

Our site saves small pieces of text information (cookies) on your device in order to deliver better content and for statistical purposes. You can disable the usage of cookies by changing the settings of your browser. By browsing our site without changing the browser settings you grant us permission to store that information on your device.

I agree, do not show this message again.

Comparative study of EXAFS spectra for close-shell systems

N. ALDEA1,* , S. PINTEA1, V. REDNIC1, F. MATEI2, XIE YANING3

Affiliation

  1. National Institute for Research and Development of Isotopic and Molecular Technologies, P.O. Box 700, Cluj-Napoca 5, Romania
  2. University of Agricultural Sciences and Veterinary Medicine, Cluj-Napoca, Calea Manastur 3-5, Romania
  3. Beijing Synchrotron Radiation Facilities of Beijing Electron Positron Collider National Laboratory, People's Republic of China

Abstract

Many systems of real interest for Extended X Ray Absorption Fine Spectroscopy have closed coordination shells. In this paper we focus on the local structural characteristics of supported nickel catalysts and Fe3O4 core-shell nanocomposites. The latter are obtained by the polymerization of a conducting polypyrrole shell around Fe3O4 nanoparticles. The local structure of Fe and Ni atoms were determined through Extended X-ray Absorption Fine Structure analysis based on the comparative study of the radial distribution function calculated with the classical fast Fourier transform and the Filon quadrature. The radial distribution function can be efficiently calculated by the fast Fourier transform when the coordination shells are well separated while the Filon quadrature gives remarkable results for close-shell coordination. The present work achieved an adequate comparison between different Fourier transform methods for obtaining very accurate local structure results..

Keywords

Closed-shell systems, X-ray spectroscopy; Fourier transform algorithms, Radial distribution function, Numerical analysis..

Submitted at: July 5, 2009
Accepted at: Dec. 10, 2009

Citation

N. ALDEA, S. PINTEA, V. REDNIC, F. MATEI, XIE YANING, Comparative study of EXAFS spectra for close-shell systems, Journal of Optoelectronics and Advanced Materials Vol. 11, Iss. 12, pp. 2167-2171 (2009)