Current Rectification in Mono- and Bilayer Nanographenes with Different Edges

Abstract

Graphene nanomaterials are actively used in electronics and materials science as elements of electric circuits and both structural and storage components. Their unique structure and electronic properties allow for a wide variety of applications (i.e., electron and thermal conductivity, ion transport, ion storage, and electric-current rectification). In this work, we investigate the electric-current-rectifying properties of mono- and bilayer two-terminal nanographene devices with the nonequilibrium Green’s function method combined with density functional theory. The diode-like properties are achieved by control of the nanoribbons’ edges. The sequential combination of armchair and zigzag domains leads to nanographene junctions with asymmetric current–voltage characteristics. The rectifying properties of the asymmetric armchair–zigzag carbon materials are derived from the nonequilibrium Green’s function theory. The electric-current rectification is explained by the interaction of the external electric field ...