Investigate the electron structure and magnetic properties ofcarbon doped zinc oxide nanosheet: DFT

In the present work the Density functional theory (DFT) calculations were performed on theelectron structure and magnetic properties of Carbon-doped ZnO nanosheet. The predicted forcarbon doping modifies the electronic structure of ZnO nanosheet. Through optimized the Cn-ZnO (n=1-7) compounds, we found that compounds are stable. Also calculated binding energyand ionization potential of carbon exohedral doping ZnO nanosheet. The compounds have beenfound to be more chemically reactive. Mullikan charge analysis shows the presence of themagnetic moment in these systems.