Geometric and Electronic Properties of Edge-decorated Graphene Nanoribbons

Geometric and Electronic Properties of Edge-decorated Graphene Nanoribbons

Edge-decorated graphene nanoribbons are investigated with the density functional theory; they reveal three stable geometric structures. The first type is a tubular structure formed by the covalent bonds of decorating boron or nitrogen atoms. The second one consists of curved nanoribbons created by the dipole-dipole interactions between two edges when decorated with Be, Mg, or Al atoms. The fina...

Graphene Nanoribbons: Geometric, Electronic, and Magnetic Properties

Graphene nanoribbons (GNRs) have one-dimensional structures with hexagonal twodimensional carbon lattices, which are stripes of graphene. Their structures and their electronic and magnetic properties have been intensively studied both experimentally and theoretically. Due to their various edge structures, GNRs present different electronic properties ranging from normal semiconductors to spin-po...

Electronic transport properties of graphene nanoribbons

We will present brief overview on the electronic and transport properties of graphene nanoribbons focusing on the effect of edge shapes and impurity scattering. The low-energy electronic states of graphene have two non-equivalent massless Dirac spectrum. The relative distance between these two Dirac points in the momentum space and edge states due to the existence of the zigzag type graphene ed...

Electronic Properties of Deformed Graphene Nanoribbons

Electronic properties of twisted armchair graphene nanoribbons

We study the effect of twist on the electronic structure of H-terminated armchair graphene nanoribbons, for both relaxed and unrelaxed unit cell size. We investigate the band gap change as a function of the twist angle for different ribbon widths. In the case of unrelaxed unit cell size, the band gap closes for smaller twist angles as opposed to relaxed unit cell size. We calculate strain energ...