Structural and Optical Properties of Mn doped ZnS Nanoparticles: Sol-gel and Quantum Chemical Studies

Abstract

A bstract- In the present work, undoped and Mn-doped ZnS nanoparticles (ZnS:Mn) were growth by the spin coated method at room temperature. The concentration of the Mn ions was changed from 2 to 6%. Different analytical techniques including were used to investigate the influence of Mn concentration on optical properties of produced thin films. In summary, the influence of Mn doping on the optical properties of un-doped ZnS thin films was reported. These results were also compared to the ZnS:Mn thin films produced by different techniques. In UV-Vis. studies, the band gap energy was found to be 3.5–3.8 eV depending on the Mn doping ratio. In addition, undoped and Mn-doped ZnS nanoparticles were theoretically performed as a cluster by semi empirical calculations. In these calculations, the Zn7S7 and Zn5Mn2S7 were optimized as a hexagonal wurtzite phase structure by semi-empirical pm6 level. The theoretical band gaps for both molecules were calculated with same method.