A Simple Analytical Method to Determine the Fraction of {001} Anatase Crystals Facet
Fry Voni Steky (a,b), Didi Prasetyo Benu (a,b,c), Rino Rakhmata Mukti (b,d), Brian Yuliarto (d,e), Veinardi Suendo (b,d*)

a) Doctoral Program of Chemistry, Faculty of Mathematics and Natural Sciences, Department of Chemistry, Institut Teknologi Bandung, Bandung 40132, Indonesia
b) Division of Inorganic and Physical Chemistry, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha No. 10, Bandung 40132 Indonesia
*vsuendo[at]chem.itb.ac.id
c) Department of Chemistry, Universitas Timor, Jl. Eltari, Kefamenanu 85613, Indonesia
d) Research Center for Nanosciences and Nanotechnology, Institut Teknologi Bandung, Jl. Ganesha No 10, Bandung 40132, Indonesia
e) Engineering Physics Department, Faculty of Industrial Technology, Institut Teknologi Bandung, Jl. Ganesha No. 10, Bandung 40132 Indonesia

Abstract

There are several methods to quantify the most reactive facet {001} in anatase. However, most methods involve a series of expensive and complex experimental techniques. This work demonstrated a simple method to quantify the {001} facet of anatase crystals based on a comprehensive XRD analysis. We have calculated the fraction of {001} facet using a geometric model of a truncated square-bipyramidal-shaped crystal based on the crystal habit of anatase. The presence of truncated square-bipyramidal-shaped crystallites in the anatase phase was confirmed by HRTEM. The peaks in the XRD pattern at 37.7 and 48.0 degrees represent the (004) and (200) diffraction planes, which are coherent with the (001) and (100) diffraction planes of the unit cells, respectively. Applying the Scherrer Equation, these peaks full width at half maximum (FWHM) corresponds to the average thickness and length of the anatase crystallites.

Keywords: anatase phase, crystal habit, crystal facet, facet-fraction determination, truncated square-bipyramidal-shaped crystal

Topic: CHEMISTRY AND MATERIAL SCIENCES