Effect of Ni doping on optical, structural, and morphological properties of ZnO thin films synthesized by MSILAR: Experimental and DFT study

In this study the thin films of Zinc Oxide (ZnO) and Nickel (Ni) doped ZnO were successfully synthesized by the simple modified successive ion layer adsorption and reaction method, with 30 cycles of dipping a substrate directly in cationic and anionic precursors without rinsing in water. The effect of nickel doping with this method was investigated. The X-ray diffraction (XRD) analysis confirms the wurtzite structure of ZnO in the thin films, without any secondary phases. A decrease in grain size and cell parameters was observed. Scanning electron mi-croscopy (SEM) with energy dispersive X-Ray (EDX) analysis showed that Ni significantly affects the morphology of thin films. UV-visible spectra are obtained in the wavelength range between 300 nm to 1100 nm. A decrease in band gap from 3.23 eV to 3.11 eV was observed. First principal calculation was used to reveal the effect of Ni on electronic and magnetic properties. It showed that ZnO and Ni doped ZnO exhibits a direct band gap semiconductor and Ni-3d electrons are the primary source of magnetic momentum in ZnO matrix.

Automated summary

In this study, thin films of ZnO and Ni-doped ZnO were successfully synthesized using a modified successive ion layer adsorption and reaction method. The effect of nickel doping on the thin films was investigated, revealing changes in grain size, morphology, and optical properties. The study also used first principal calculation to demonstrate the electronic and magnetic properties of ZnO and Ni-doped ZnO films.