Keywords : Exohedral doping
Investigate the electron structure and magnetic properties of carbon doped zinc oxide nanosheet: DFT
journal of kerbala university,
Volume 11, Issue 2, Pages 98-105
In the present work the Density functional theory (DFT) calculations were performed on the electron structure and magnetic properties of Carbon-doped ZnO nanosheet. The predicted for carbon 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 energy and ionization potential of carbon exohedral doping ZnO nanosheet. The compounds have been found to be more chemically reactive. Mullikan charge analysis shows the presence of the magnetic moment in these systems.