DFT study of graphene doping due to metal contacts

Abstract

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.