Theoretical investigation on electron transport and the effect on thermal transport in graphene ribbon

摘要

The density functional theory (DFT) and nonequilibrium Green's function methods to study the micro-structure, transmission pathways and the current density of graphene ribbon (GR). The thermal transport properties were calculated by the properties of electron transport using the classical function. The results showed that structure has strong effect on the electron transmission pathway of GR. In one side defect GR, the electron transmits mainly through the defect-free side. It shows that the more defect in GR, the more heat transferred by the electrons.