相关论文: Engineering the work function of armchair graphene…
We demonstrate the preparation of both armchair and zigzag epitaxial graphene nanoribbons (GNRs) on 4H-SiC using a polymer-assisted, sublimation growth method. Historically, the preparation of GNRs depended on the quality, or smoothness, of…
We investigate the functionalization of functional groups to graphene nanoribbons with zigzag and armchair edges using first principles calculations. We find that the formation energy for the configuration of the functional groups…
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…
In this paper, we apply the first-principle theory to explore how the electronic structures of armchair graphene nanoribbons (AGNRs) are affected by chemical modifications. The edge addends include H, F, N, NH$_{2}$, and NO$_{2}$. Our…
We investigate the combined influence of structural defects and uniaxial longitudinal strain on the electronic transport properties of armchair graphene nanoribbons using the numerical approach based on the semiempirical tight-binding…
In this work spin transport in corrugated armchair graphene nanoribbons (AGNR) is studied. We survey combined effects of spin-orbit interaction and surface roughness, employing the non-equilibrium Green's function formalism and four…
Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We…
Density functional theory calculations are used to investigate the electronic structures of localized states at reconstructed armchair graphene edges. We consider graphene nanoribbons with two different edge types and obtain the energy band…
We report, based on its variation in electronic transport to coupled tension and shear deformation, a highly sensitive graphene-based strain sensor consisting of an armchair graphene nanoribbon (AGNR) between metallic contacts. As the…
The effect of edge modification of armchair graphene nanoribbons (AGNRs) on the collective excitations are theoretically investigated. The tight-binding method is employed in conjunction with the dielectric function. Unconventional plasmon…
The effect of the uniaxial strain on the current-voltage characteristic of a typical armchair graphene-nanoribbon-hBN heterostructure device is simulated numerically by employing the nearest-neighbor tight-binding model and the…
Graphene nanoribbons are the counterpart of carbon nanotubes in graphene-based nanoelectronics. We investigate the electronic properties of chemically modified ribbons by means of density functional theory. We observe that chemical…
The electronic and transport properties of hybrid armchair zigzag nanostructures including U-shaped graphene nanoribbons and patterned nanopores structured graphene were studied using combination of density functional theory and…
We perform a systematic {\it ab initio} study of the work function and its uniform strain dependence for graphene and silicene for both tensile and compressive strains. The Poisson ratios associated with armchair and zigzag strains are also…
We combine density-functional theory and the nonequilibrium Green's function method to study the thermal conductance of graphene nanoribbons with armchair and zigzag edges. Zigzag ribbons have higher thermal conductance than armchair…
On-surface synthesis enables the fabrication of atomically precise graphene nanoribbons (GNRs) with properties defined by their shape and edge topology. While this bottom-up approach provides unmatched control over electronic and structural…
The effects of substrate on the electronic properties of Graphene remains unclear. Many theoretical and experimental efforts have been done to clarify this discrepancy. In this work, we studied the electronic transport in armchair Graphene…
Using a first principles density functional electronic structure method, we study the energy gaps and magnetism in bilayer graphene nanoribbons as a function of the ribbon width and the strength of an external electric field between the…
Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons upon the presence of stress applying Density Functional Theory within the GGA-PBE approximation. The uniaxial stress is applied along…
The geometric, electronic and magnetic properties of strained graphene nanoribbons were investigated using spin polarized calculations within the framework of density functional theory. Cases of compressive stress along the longer axis of a…