Theoretical Study of the Edge Effect of Dumbbellshape Graphene Nanoribbon with a Dual Electronic Properties by First-principle Calculations

Abstract

The electronic band structure (band gap) and electronic transmission properties of dumbbell-shape graphene nanoribbons (DS-GNRs), which consists of a thinner semiconductive GNR and two wider metallic GNRs at its both ends, was theoretically investigated using first-principles calculation to clarify the dominant controlling factors of their electronic performance for their applications to various smart sensors. The electronic properties of the DS-GNR was found to vary drastically depending on the combination of the total number of carbon atoms along the width direction of each portion, the length of the semiconductive portion, the width of the metallic portion, and so on.