B P International

Zinc Oxide (ZnO) thin films have been successfully coated onto glass substrates at various solutions concentration (0.1 M, 0.2 M and 0.3 M) by Low cost SILAR coating technique. The film thickness was estimated using weight gain method and it revealed that the film thickness increased with solution concentration values. The prepared film structural, morphological and optical properties were studied using X-ray diffraction (XRD), scanning electron microscope (SEM) and UV-Vis-NIR spectrophotometer respectively. The structure of the films were found to be hexagonal structure with polycrystalline in nature with preferential orientation along (002) plane. X-ray line profile analysis was used to evaluate the micro structural parameters such as crystallite size, micro strain, dislocation density and stacking fault probability. The value of the crystalline size is increased by increasing the concentration of the solution. The average crystalline size was estimated at in the range of 26 nm to...

A theoretical study on the effects of a moderate amount of sulfur when used as substituent impurity in place of oxygen in zinc oxide at its crystal form using Density Functional Theory (DFT). S-substituent amounts in percent go from 0.1% up to 1.0% and we analyze modifications in the crystal properties such as lattice characteristics, total energy, and gap energy. Lattice parameter c increased slightly as S-substituent percent increased, lattice parameter a had an opposite behavior because it decreased as the S-substituent increased and c/a rate had ups and downs but with very slight variation between consecutive values. Total energy calculations showed an increasing trend at all times and binding energy showed a decreasing trend at all times as the substituent percent increase but the variation between consecutive points was small. Gap energy had a decreasing trend with a maximum variation of 6.57% at 1.0% S substituent from pristine ZnO. In order to correct the DFT underestimation...