Doping of graphene: Density functional calculations of charge transfer between GaAs and graphene and carbon nanostructures.

Density functional theory is used to show that charge transfer occurs between chemical dopants in GaAs and adsorbates composed of C₆₀ and graphene lying on the (110) surface of GaAs. In the case of C₆₀, charge transfer only occurs for n-type GaAs in agreement with previous experimental results. However, the calculations show that transfer between graphene and both n- and p-type GaAs can occur which offers a simple way of doping graphene.