Strain effect on electronic structures of graphene nanoribbons: A first-principles study.

Electronic and Optical Properties of the Graphene and Boron Nitride Nanoribbons in Presence of the Electric Field

Abstract: In this study, using density functional theory and the SIESTA computationalcode, we investigate the electronic and optical properties of the armchair graphenenanoribbons and the armchair boron nitride nanoribbons of width 25 in the presence of atransverse external electric field. We have observed that in the absence of the electricfield, these structures are se...

Electronic properties of hydrogenated porous Graphene based nanoribbons: A density functional theory study

The structural and electronic properties of the hydrogenated porous graphene nanoribbons were studied by using density functional theory calculations. The results show that the hydrogenated porous graphene nanoribbons are energetically stable. The effects of ribbon type and ribbon width on the electronic properties of these nanoribbons were investigated. It was found that both armchair and zigz...

Strain-engineering of band gaps in piezoelectric boron nitride nanoribbons.

Two-dimensional atomic sheets such as graphene and boron nitride monolayers represent a new class of nanostructured materials for a variety of applications. However, the intrinsic electronic structure of graphene and h-BN atomic sheets limits their direct application in electronic devices. By first-principles density functional theory calculations we demonstrate that band gap of zigzag BN nanor...

Quantum current modelling on tri-layer graphene nanoribbons in limit degenerate and non-degenerate

Graphene is determined by a wonderful carrier transport property and high sensitivityat the surface of a single molecule, making them great as resources used in Nano electronic use.TGN is modeled in form of three honeycomb lattices with pairs of in-equivalent sites as {A1, B1},{A2, B2}, and {A3, B3} which are located in the top, center and bottom layers, respectively. Trilayer...

Atomic structure and electronic properties of folded graphene nanoribbons: A first- principles study