Edge Chemistry Engineering of Graphene Nanoribbon Transistors: A Computational Study

Using the density-functional theory (DFT) simulation and a top-of-the-barrier ballistic transport model, we present a simulation framework for assessing the performance limits of graphene nanoribbon (GNR) FETs with edges terminated by different chemical species. We find significant effects of edge chemistry on the quantum capacitance, carrier injection velocity, channel conductance and balance between the nFET and the pFET of GNRFETs. The H termination is identified to have the largest on current, carrier injection velocity, and the best balance between the nFET and the pFET with typical solid state gating technologies.