Estimation of particle size using the Debye equation and the Scherrer formula for polyphasic TiO2 powder

Abstract

Abstract There are two methods to estimate the particle size from X-ray diffraction data: the Debye equation and the Scherrer formula. The main goal of this study is to describe the methodology of particle size estimation on the base of two these methods and to apply it to TiO2 powder to determine the diameters and the mass content of anatase and brookite components. The studied nano-dispersed TiO2 powder was synthesized by the sol-gel method. The proposed method of particle size estimation consists of several steps: 1. Approximation of diffraction peaks by Gaussians and calculation of initial values of particle size with the use of the Scherrer formula; 2. Iterations with the use of the Debye equation to obtain more accurate particle size values; 3. Calculation of the mass content of different components corresponding to the minimum R-factor.