Charge Transport in Chemically Doped 2D Graphene

Abstract

We report on a numerical study of electronic transport in chemically doped 2D graphene materials. By using ab initio calculations, a self-consistent scattering potential is derived for boron and nitrogen substitutions, and a fully quantum-mechanical Kubo-Greenwood approach is used to evaluate the resulting charge mobilities and conductivities of systems with impurity concentration ranging within [0.5, 4.0]%. Even for a doping concentration as large as 4.0%, the conduction is marginally affected by quantum interference effects, preserving therefore remarkable transport properties, even down to the zero temperature limit. As a result of the chemical doping, electron-hole mobilities and conductivities are shown to become asymmetric with respect to the Dirac point.