DFT study of graphene doping due to metal contacts

The experimental results of Metal–graphene (M–G) contact resistance (RC) have been investigated in–depth by means of Density Functional Theory (DFT). The simulations allowed us to build a consistent picture explaining the RC dependence on the metal contact materials employed in this work and on the applied back–gate voltage. In this respect, the M–G distance is paramount in determining the RC behavior