Effect of nitrogen doping on the electronic properties of graphene nanoribbon

The electronic properties of zigzag graphene nanoribbons (ZGNR) with 8-zigzag edges and hydrogen capping containing nitrogen as substitutional impurity were performed using ab initio density functional theory. Band structures for pristine ZGNR and nitrogen doped ZGNR have been compared. The results indicate that, in zigzag edged graphene nanoribbons, the band gap can be opened duo to the spin-up or spin-down charges when performed under spin polarized calculation. The spin splitting energy in the present case is about 0.5eV. If the system is doped with nitrogen atom, the spin degeneracy splitting is clearly visible with an introduction of impurity level above the donor level. It is expected that the study will provide a brief explanation of the band structure of graphene nanoribbon with or without doping.