Related papers: Nano-Stitching of Graphene Bilayers: A First-Princ…
How to form carbon nanoscrolls with the non-uniform curvatures is worthy of a detailed investigation. The first-principles method is suitable in studying the combined effects due to the finite-size confinement, the edge-dependent…
Carbon nanostructures with zigzag edges exhibit unique properties with exciting potential applications. Such nanostructures are generally synthesized under vacuum because their zigzag edges are unstable under ambient conditions: a barrier…
We investigate the impact of strained nanobubbles on the conductance characteristics of graphene nanoribbons using a combined molecular dynamics - tight-binding simulation scheme. We describe in detail how the conductance, density of…
A central question in the field of graphene-related research is how graphene behaves when it is patterned at the nanometer scale with different edge geometries. Perhaps the most fundamental shape relevant to this question is the graphene…
Graphene - a single atomic layer of graphite - is a recently-found two-dimensional form of carbon, which exhibits high crystal quality and ballistic electron transport at room temperature. Soft magnetic NiFe electrodes have been used to…
We have made a systematic theoretical study to determine which are the most stable structures for substitutional nitrogen defects in carbon nanotubes, by making total energy calculations via DFT. These calculations were made for a (5,5) and…
Since advanced Silicon-based device components are moderately chemically tunable, doped graphene has emerged as a promising candidate to replace this semiconducting material in flexible miniaturized electronic devices. Indeed, heteroatom…
We present an analytical description of pi electrons of a finite size bilayer graphene within a framework of the tight-binding model. The bilayered structures considered here are characterized by a rectangular geometry and have a finite…
Magnetic carbon nanostructures are currently under scrutiny for a wide spectrum of applications. Here, we theoretically investigate armchair graphene nanoribbons patterned with asymmetric edge extensions consisting of laterally fused…
Geometric and electronic properties of folded graphene nanoribbons (FGNRs) are investigated by first-principles calculations. These properties are mainly dominated by the competition or cooperation among stacking, curvature and edge…
Ordered graphene nanodisk arrays have been successfully fabricated by combining nanosphere lithography (NSL) and reactive ion etching (RIE) processes. The dimension of graphene nanodisks can be effectively tuned by varying the size of…
Here we present graphene-based nanoelectromechanical switch with the vertical carbon nanotube electrode via classical molecular dynamics simulations. The carbon nanotube is grown in the center of the square hole and the graphene covers on…
Low-frequency 1/f noise is ubiquitous, and dominates the signal-to-noise performance in nanodevices. Here we investigate the noise characteristics of single-layer and bilayer graphene nano-devices, and uncover an unexpected 1/f noise…
Here we demonstrate the selective bulk scale synthesis of delaminated graphene sheets by a proper choice of magnetic field modulating an electric-arc. An ultra-high purity glassy graphite anode was sublimated in an argon atmosphere. Carbon…
We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory.…
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…
The edges of graphene nanoribbons (GNRs) have attracted much interest due to their potentially strong influence on GNR electronic and magnetic properties. Here we report the ability to engineer the microscopic edge termination of high…
Graphene has been reported with record-breaking properties which have opened up huge potential applications. Considerable amount of researches have been devoted to manipulating or modify the properties of graphene to target a more smart…
Hydrogenated graphene, graphane, is studied on oxygen-terminated silicon dioxide substrate using ab initio calculations. A structure with hydrogenation only on one side of the graphene layer is found stable and its hydrogen configurations…
The stability of graphene nanoribbons in the presence of typical atmospheric molecules is systematically investigated by means of density functional theory. We calculate the edge formation free energy of five different edge configurations…