By applying the nonequilibrium Green's functions and the density-functional theory, we investigate the electronic structures and transport properties of fluorinated zigzag-edged boron nitride nanoribbons. The results show that the transition between half-metal and semiconductor in zigzag-edged boron nitride nanoribbons can be realized by fluorination at different sites or by the change of the f...

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...

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...

Boron nitride nanoribbons (BNNRs), the boron nitride structural equivalent of graphene nanoribbons (GNRs), are predicted to possess unique electronic and magnetic properties. We report the synthesis of BNNRs through the potassium-intercalation-induced longitudinal splitting of boron nitride nanotubes (BNNTs). This facile, scalable synthesis results in narrow (down to 20 nm), few sheet (typicall...

Boron nitride (BN)-based nanomaterials attract considerable attention due to their unique properties. In this study, we found that sonication treatment of multiwalled boron nitride nanotubes (BNNTs) in primary alcohols had led to chemical peeling of their sidewalls through alcoholysis, thereby producing boron nitride nanoribbons (BNNRs).

In this paper we propose an analytical method to calculate the band structures of graphene-like nanoribbons of the armchair type with arbitrary line defects or uniaxial strains. The model is based on the tight-binding model and the standing wave assumption for the armchair nanoribbons. It gives accurate band results for large supercell systems. Within this method, we analyze different local sta...

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...

Boron nitride nanoribbons (BNNRs) have very attractive electrical and optical properties due to their unique edge states and width-related properties. Herein, for the first time, BNNRs were produced by a simple reflux of boron nitride nanotubes (BNNTs) in nitric acid containing water, which had led to unzipped sidewalls through hydrolysis. Their high reactivity that originated from edges was ve...

The effects of edge chemistry on the relative stability and electronic properties of zigzag boron nitride nanoribbons (ZBNNRs) are investigated. Among all functional groups considered, fully hydroxylated ZBNNRs are found to be the most energetically stable. When an in-plane external electric field is applied perpendicular to the axis of both hydrogenated and hydroxylated ZBNNRs, a spin-polarize...

By combining experiments performed on nanoribbons in situ within a high-resolution TEM with objective molecular dynamics simulations, we reveal common mechanisms in the bending response of few-layer-thick hexagonal boron nitride and graphene nanoribbons. Both materials are observed forming localized kinks in the fully reversible bending experiments. Microscopic simulations and theoretical analy...