Figure 3.

Top and side views of G/TiO₂, VG—O_br, and VG---Ti_5c interfaces (top and middle lines) along with the density of states (bottom line). The C atoms at the vacancy are highlighted in black, and the other C atoms are shown in light gray. Small red balls represent O atoms, and big dark gray balls represent Ti atoms. In the DOS, the filled gray area represents the total DOS and the black line is DOS-projected on graphene (G or VG), which is ×5 for clarity. The red and blue lines are DOS-projected on all O and all Ti atoms in the TiO₂ slab, respectively. Fermi energy (E_F) is set at the eigenvalue of the highest occupied states.