Comparative study of crystallite size using Williamson-Hall and Debye-Scherrer plots for ZnO nanoparticles

Abstract

ZnO nanoparticles at different pH were synthesised by a sol-gel technique from zinc acetate dihydrate at a calcination temperature of 450 °C. The synthesized ZnO nanoparticles were characterised by x-ray diffraction (XDR) peak profile analysis, high-resolution scanning electron microscopy and Fourier transform infrared spectroscopy. The effects of solution pH on the crystallite size using Williamson-Hall and Debye-Scherrer were determined. The XRD analysis of the zincite phase structure of ZnO nanoparticles was obtained in the form of spheres for all the samples. The average crystallite sizes of ZnO nanoparticles decrease with increasing pH. The crystallite sizes of ZnO nanoparticles were investigated using Williamson-Hall analysis and Scherrer's formula. The parameters such as dislocation density and lattice strain were computed for the diffraction peaks of XRD in the range of 2θ=10-90°. The results showed that the crystallite sizes calculated from Scherrer's equation and Williamson-Hall analysis from XRD are not inter-correlated. Both methods give a wide deviation of crystallite size. Also, it was found that the crystallite sizes using both methods decrease with an increase in pH. Smaller crystallite sizes were estimated using the Scherrer's formula. Thus, it is deduced that the equation fitted well for the synthesised ZnO nanoparticles.

Physical Investigations of (Co, Mn) Co-Doped ZnO Nanocrystalline Films

“…The amount of defects representing the displacement of the crystal structure when additional impurities are incorporated into a crystal can be evaluated by calculating the dislocation density (δ). The dislocation density, δ, defined as the number of intercepted positions by the dislocation lines per unit area in the plane perpendicular to the dislocation lines (lines/m 2 ) [ 40 ], was estimated using the Williamson and Smallman formula [ 40 , 41 , 42 , 43 , 44 , 45 ], as given by the following equation: δ = 1⁄ D 2 , where D is the crystallite size of the ZnO samples. The calculated values of dislocation density are summarized in Table 3 .…”

XRD Peak Profile Analysis of SiC Reinforced Al2O3 Ceramic Composite Synthesized by Electrical Resistance Heating and Microwave Sintering: A Comparison

“…It was widely accepted that the Debye-Scherrer technique and the Williamson-Hall method were both appropriate for calculating the lattice strain (ε) and the crystallite size (D) from the broadening of XRD peaks, respectively [18][19][20][21][22][23][24]. No material has a perfect crystal structure because of their finite size which leads to an anomaly from ideal crystallinity which produces the X-ray diffraction peak broadening [24,25]. e information from the pattern obtained from diffractometer apparently gives about the expansion of X-ray diffraction peaks and can be directly quantified.…”

Study of double-using ultrasonic effects on the structure of PbO nanorods fabricated by the sonochemical method

“…The data were collected at room temperature in the 2θ range of 10-80°. The average crystallite size of the PbO nanoparticles was calculated using the Debye-Scherrer formula as follows [42] : where D is the mean crystallite size, λ stands for the wavelength of the CuKα line (=1.5405 Å), β represents the full width at half maximum (FWHM), and θ is the Bragg ’ s diffraction angle. According to Fig.…”