▎ 摘 要
Edge doping of graphene flakes and graphene nanoribbons (GNRs) was achieved in recent experiments. Atomistic self-consistent simulations are performed in this study to compute the edge dopant energy levels of GNRs. The results indicate that the energy required to ionize the edge dopant in a sub-10 nm wide GNR increases considerably as the GNR width decreases and it is sensitive to electrostatic environment such as the substrate and gate insulator materials. These unusual behaviors of dopants in a GNR are due to its quasi-one-dimensional structure and monolayer-thin body. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3489690]