Excitonic properties of hydrogen saturation-edged armchair graphene nanoribbons.

Excitonic effects in the optical spectra of graphene nanoribbons.

We present a first-principles calculation of the optical properties of armchair-edged graphene nanoribbons (AGNRs) with many-electron effects included. The reduced dimensionality of the AGNRs gives rise to an enhanced electron-hole binding energy for both bright and dark exciton states (0.8-1.4 eV for GNRs with width approximately 1.2 nm) and dramatically changes the optical spectra owing to a ...

Atomistic simulation and continuum modeling of graphene nanoribbons under uniaxial tension

Atomistic simulations are performed to study the nonlinear mechanical behavior of graphene nanoribbons under quasistatic uniaxial tension, emphasizing the effects of edge structures (armchair and zigzag, without and with hydrogen passivation) on elastic modulus and fracture strength. The numerical results are analyzed within a theoretical model of thermodynamics, which enables determination of ...

Effect of edge structures on elastic modulus and fracture of graphene nanoribbons under uniaxial tension

Qiang Lu and Rui Huang Department of Aerospace Engineering and Engineering Mechanics, University of Texas, Austin, Texas 78712, USA ABSTRACT Based on atomistic simulations, the nonlinear elastic properties of monolayer graphene nanoribbons under quasistatic uniaxial tension are predicted, emphasizing the effect of edge structures (armchair and zigzag, without and with hydrogen passivation). T...

D band Raman intensity calculation in armchair edged graphene nanoribbons

Spin-polarized transport through a zigzag-edge graphene flake embedded between two armchair nanoribbons electrodes

We study the coherent spin-polarized transport through a zigzag-edge graphene flake (ZGF), using Hubbard model in the nearest neighbor approximation within the framework of the Green function’s technique and Landauer formalism. The system considered consists of electrode/ (ZGF)/electrode, in which the electrodes are chosen to be armchair nanoribbons. The study was performed for two types of ele...