Electronic structure of graphene/TiO2 interface: Design and functional perspectives

We propose the design of low strained and energetically favourable mono bilayer graphene overlayer on anatase TiO$_2$ (001) surface examined electronic structure interface with aid first principle calculations. In absence hybridization between states, dipolar fluctuations govern minor charge transfer across interface. As a result, both substrate retain their pristine structure. The monolayer retains its gapless linear band dispersion irrespective induced epitaxial strain. potential gradient opens up few meV bandgap in case Bernal stacking strengthens interpenetration Dirac cones hexagonal graphene. difference macroscopic average layer(s) heterostructure lies range 3 to 3.13 eV, which is very close ($\sim$ 3.2 eV). Therefore, proposed will exhibit enhanced photo-induced component serve as visible light sensitizer.