相关论文: Polarization Induced Switching Effect in Graphene …
We study electronic quantum transport in graphene nanoribbon (GNR) networks on mesoscopic length scales. We focus on zigzag GNRs and investigate the conductance properties of statistical networks. To this end we use a…
Graphene nanoribbons (GNRs) are natural waveguides for electrons in graphene. Nevertheless, unlike micron-sized samples, conductance is nearly suppressed in these narrow graphene stripes, mainly due to scattering with edge disorder…
We investigate the electronic structure and transport properties of twisted bilayer graphene (TBLG) at a twist angle of $\theta\approx 1.696\text{{\deg}}$. Using a combination of molecular dynamics and tight-binding calculations, we find…
Recently it has been experimentally shown that a graphene nanoribbon (GNR) can be obtained by unzipping a carbon nanotube (CNT). This makes it possible to fabricate all-carbon heterostructures that have a unique interface between a CNT and…
We study the transport properties, in particular, the thermoelectric figure of merit ZT of armchair graphene nanoribbons, AGNR-N (for N=4-12, with widths ranging from 3.7 to 13.6~\AA) through strain engineering, where N is the number of…
The nonlinear spin-dependent transport properties in zigzag graphene nanoribbons (ZGNRs) edge doped by an atom of group III and V elements are studied systematically using density functional theory combined with non-equilibrium Greens…
We perform first-principles calculations based on density functional theory to study quasi one-dimensional edge-passivated (with hydrogen) zigzag graphene nanoribbons (ZGNRs) of various widths with chemical dopants, boron and nitrogen,…
Graphene nanoribbons (GNRs) are a novel and intriguing class of materials in the field of nanoelectronics, since their properties, solely defined by their width and edge type, are controllable with high precision directly from synthesis.…
We present an ab initio study of the structural, electronic, and quantum transport properties of B-N-complex edge-doped graphene nanoribbons (GNRs). We find that the B-N edge codop-ing is energetically a very favorable process and…
The significant electron-electron interactions that characterize the {\pi}-electrons of graphene nanoribbons (GNRs) necessitate going beyond one-electron tight-binding description. Existing theories of electron-electron interactions in GNRs…
Electronic structures of graphene sheet with different defective patterns are investigated, based on the first principles calculations. We find that defective patterns can tune the electronic structures of the graphene significantly.…
The recent fabrication of graphene nanoribbon (GNR) field-effect transistors poses a challenge for first-principles modeling of carbon nanoelectronics due to many thousand atoms present in the device. The state of the art quantum transport…
We propose an analytical device model for a graphene nanoribbon field-effect transistor (GNR-FET). The GNR-FET under consideration is based on a heterostructure which consists of an array of nanoribbons clad between the highly conducting…
The electronic structure and conductance of substitutionally edge-doped zigzag silicene nanoribbons (ZSiNRs) are investigated using the nonequilibrium Green's function method combined with the density functional theory. Two-probe systems of…
Zigzag edges of neutral armchair-oriented Graphene Nano-Ribbons show states strongly localized at those edges. They behave as free radicals that can capture electrons during processing, increasing ribbon's stability. Thus, charging and its…
Recent works have shown how the electrical properties of graphene nanoribbons (GNRs) show a size-dependence in terms of resistivity, charge neutrality point (CNP) and band structure once their widths drop below approximately 50 nm. It has…
Imperfections change essentially the electronic transport properties of graphene. Motivated by a recent experiment reporting on the possible application of graphene as junctions, we study transport properties in graphene-based junctions…
We investigate the electromechanical response of doubly clamped graphene nanoribbons to a transverse gate voltage. An analytical model is developed to predict the field-induced deformation of graphene nanoribbons as a function of field…
At B3LYP level of theory, we predict that the half-metallicity in zigzag edge graphene nanoribbon (ZGNR) can be realized when an external electric field is applied across the ribbon. The critical electric field to induce the…
Armchair graphene nanoribbons with different proportions of edge oxygen atoms are investigated by using crystal orbital method based on density functional theory. All the nanoribbons are energetically favorable, although buckled edges are…