Zigzag graphene nanoribbons separated by hydrogenation

Abstract

As the integrated circuits continue to miniaturize, the narrower interconnect matched is needed. Using density functional theory combined with non-equilibrium Green's function, we try to adopt a row or a column of hydrogen atoms adsorbed on the zigzag graphene nanoribbons, which are in the middle parallel or perpendicular to the axial direction to limit the movement of π electron. The utilization of the adsorbed hydrogen row blocks the transport of electrons, zigzag graphene nanoribbons are divided into conductive and non-current part. Physically, the nanoribbons are separated laterally or longitudinally to two strips that contain fewer atoms, preserving the structural integrity of zigzag graphene nanoribbons. According to the transmission pathways after hydrogenation, there is almost no current flowing through the intermediate hydrogenated carbon chains when hydrogenated in the direction of the ribbon axis; while perpendicular to the ribbon axis, except for the loop current among the two edge carbon atoms and the hydrogenated carbon atoms, only a small part of the current flows along the zigzag axial direction. In the application of graphene nanoribbons, we usually want to use semiconductor nanoribbons as devices, and metal nanoribbons for interconnects. Our results indicate that zigzag graphene nanoribbons can be qualitatively separated into two narrower strips by regular adsorption of hydrogen to connect smaller devices.