The change is optical properties and the extention of the application in the field of photocatalysis and photoelectric conversion of the metal and nonmetal-co-doped TiO2 are heatedly studied in recent years. The properties of band structure, density of states, optical properties and defect formation energy of rutile TiO2 super-cell with metallic and nonmetallic impurity co-doped with N-Ru, N-Rh and N-Pd are calculated by plane wave pseudopotential method based on the density functional theory. The results show that rutile TiO2 co-doped with N, N-Ru, N-Rh and N-Pd improve the visible light absorption and utilization efficiency. The defect formation energies decrease in the order of N-Pd, N-Rh and N-Ru, which shows that N-Ru is the most easily doped into TiO2 lattice in co-doped condition. TiO2 co-doped with N-Rh greatly improves absorptivity and reflectivity and achieves the best effect in the range of visible light wavelength.