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Digitale Medien

A multiple-scattering approach to the study of X-ray absorption spectra of anatase and rutile (1993)

Bohr, F. ; Ruiz-López, M. F. ; Muñoz-Páez, A.

Springer

Catalysis letters 20 (1993), S. 59-71

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Details

ISSN: 1572-879X

Schlagwort(e): EXAFS ; XANES ; TiO2 ; multiple scattering

Quelle: Springer Online Journal Archives 1860-2000

Thema: Chemie und Pharmazie

Notizen: Abstract Theoretical computations of the X-ray absorption spectra of the crystalline forms of TiO2, rutile and anatase, have been carried out in order to analyze the influence of multiple scattering contributions to the absorption coefficient. The cluster size used in the computations after making a detailed study of shell contributions, has been 75 atoms for rutile and 63 for anatase. This work has been envisaged as a suitable starting point to the analysis of experimental data for the more complicated TiO2 amorphous systems involved in catalytic processes.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1007/BF00772597

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