Preferential growth of anatase crystallites along different directions is known to deeply affect their photocatalytic properties, especially with respect to the exposure of the reactive {001} facets. Its extent can be easily quantified through simple geometric calculations, on the basis of crystal sizes extracted for specific directions by means of X-Ray Diffraction data analysis. Nevertheless, the actual results depend on the method employed for such a quantification. Here we report on a comparative morphological investigation, performed by employing the Scherrer equation and the line profile from Rietveld refinements, on shape-controlled anatase photocatalysts produced by employing HF as capping agent. Compared to the Rietveld-based method, the use of the Scherrer equation produces a systematic underestimation of crystallite dimensions, especially concerning the [100] direction, which in turn causes the percentage of exposed {001} crystal facets to be underestimated. Neglecting instrumental-related effects may further reduce the estimate.

Morphological characterization of shape-controlled TiO2 anatase through XRPD analysis / M. Coduri, M. Maisano, M.V. Dozzi, E. Selli. - In: ZEITSCHRIFT FÜR PHYSIKALISCHE CHEMIE. - ISSN 0942-9352. - 230:9(2016 Sep), pp. 1233-1248. ((Intervento presentato al 1. convegno European Conference on Physical and Theoretical Chemistry tenutosi a Catania nel 2015 [10.1515/zpch-2015-0715].

Morphological characterization of shape-controlled TiO2 anatase through XRPD analysis

M. Coduri;M.V. Dozzi;E. Selli
2016-09

Abstract

Preferential growth of anatase crystallites along different directions is known to deeply affect their photocatalytic properties, especially with respect to the exposure of the reactive {001} facets. Its extent can be easily quantified through simple geometric calculations, on the basis of crystal sizes extracted for specific directions by means of X-Ray Diffraction data analysis. Nevertheless, the actual results depend on the method employed for such a quantification. Here we report on a comparative morphological investigation, performed by employing the Scherrer equation and the line profile from Rietveld refinements, on shape-controlled anatase photocatalysts produced by employing HF as capping agent. Compared to the Rietveld-based method, the use of the Scherrer equation produces a systematic underestimation of crystallite dimensions, especially concerning the [100] direction, which in turn causes the percentage of exposed {001} crystal facets to be underestimated. Neglecting instrumental-related effects may further reduce the estimate.
TiO2; Fluorine; Capping Agent; {001} Anatase Facets; X-ray Powder Diffraction; Rietveld; Scherrer
Settore CHIM/02 - Chimica Fisica
ZEITSCHRIFT FÜR PHYSIKALISCHE CHEMIE
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/431863
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