Elastic properties of graphene-graphane nanoribbons

Mechanical properties of graphene nanoribbons.

Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons in the presence of stress by applying density functional theory within the GGA-PBE (generalized gradient approximation-Perdew-Burke-Ernzerhof) approximation. The uniaxial stress is applied along the periodic direction, allowing a unitary deformation in the range of ± 0.02%. The mechanical ...

Electromechanical properties of suspended graphene nanoribbons.

Graphene nanoribbons present diverse electronic properties ranging from semiconducting to half-metallic, depending on their geometry, dimensions, and chemical composition. Here we present a route to control these properties via externally applied mechanical deformations. Using state-of-the-art density functional theory calculations combined with classical elasticity theory considerations, we fi...

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...