| Abstrakt: |
We calculated Fe-N co-doped ZnO crystal geometry, internal electronic structure and optical properties by the first-principle electronic density functional theory as the theoretical basis. From the structure diagram, energy band diagram, and optical absorption curve, we analyzed its geometry, electronic internal structure and the optical property cause. Results showed that ZnO band valence rising after Fe-N co-doping, and forbidden band width became less than pure ZnO. The light absorption curve turned out red shift, improving the visible light utilization rate of the ZnO, by analyzing these graphics. This result was an experimental basis for ZnO Fe-N co-doping in the further study. [ABSTRACT FROM AUTHOR] |
