相关论文: Potential barrier of Graphene edges
For an edge-ordered graph $G$, we say that an $n$-vertex edge-ordered graph $H$ is $G$-saturated if it is $G$-free and adding any new edge with any new label to $H$ introduces a copy of $G$. The saturation function describes the minimum…
We investigate electronic transport in gapped bilayer graphene (gBLG) devices. For certain edge terminations -typically a combination of zigzag, armchair, and bearded types - we observe edge state conduction within the band gap, which is…
We report on several unusual properties of a graphene antidot created by a piecewise constant potential in a magnetic field. We find that the total probability of finding the electron in the barrier can be nearly one while it is almost zero…
We investigate the optical properties of edge-functionalized graphene nanosystems, focusing on the formation of junctions and charge transfer excitons. We consider a class of graphene structures which combine the main electronic features of…
Conventional three-dimensional crystal lattices are terminated by surfaces, which can demonstrate complex rebonding and rehybridisation, localised strain and dislocation formation. Two dimensional crystal lattices, of which graphene is the…
The structural and electronic properties of oxidized graphene are investigated on the basis of the genetic algorithm and density functional theory calculations. We find two new low energy semiconducting phases of the fully oxidized graphene…
Based on first-principles calculations, electronic properties of edge-functionalized zigzag graphene nanoribbons (ZGNRs) on SiO2 substrate are presented. Metallic or semiconducting properties of ZGNRs are revealed due to various…
Interfaces play a key role in low dimensional materials like graphene or its boron nitrogen analog, white graphene. The edge energy of h-BN has not been reported as its lower symmetry makes it difficult to separate the opposite B-rich and…
We report an atomically-resolved scanning tunneling microscopy (STM) investigation of the edges of graphene grains synthesized on Cu foils by chemical vapor deposition (CVD). Most of the edges are macroscopically parallel to the zigzag…
The interaction between protons and graphene is attracting a large interest due to recent experiments showing that these charged species permeate through the 2D material following a low barrier (~ 0.8 eV) activated process. A possible…
First-principles investigations on the edge energies and edge stresses of single-layer hexagonal boron-nitride (BN) are presented. The armchair edges of BN nanoribbons (BNNRs) are more stable in energy than zigzag ones. Armchair BNNRs are…
Using the energy spectrum of a system made of graphene subjected to a linear barrier potential, we study the Goos-H\"anshen shifts. The calculation is done by first determining the corresponding phase shifts via the transmission and…
Based on first-principles calculations, electronic properties of edge-functionalized zigzag graphene nanoribbons (ZGNRs) on SiO2 substrate are presented. Metallic or semiconducting properties of ZGNRs are revealed due to various…
A theoretical study of the transport properties of zigzag and armchair graphene nanoribbons with a magnetic barrier on top is presented. The magnetic barrier modifies the energy spectrum of the nanoribbons locally, which results in an…
We have developed a new global optimization method for the determination of interface structure based on the differential evolution algorithm. Here, we applied this method to search for the ground state atomic structures of the grain…
Consider the tight binding model of graphene, sharply terminated along an edge ${\bf l}$ parallel to a direction of translational symmetry of the underlying period lattice. We classify such edges ${\bf l}$ into those of "zigzag type" and…
Graphene possesses a unique combination of physical properties including high carrier mobility and high current density it can sustain. In contrast to bulk metals, graphene does not completely screen the external electrostatic field. In…
The grain boundaries (GBs) of a graphene surface were extensively studied because GBs with specific defect configurations result in the formation of new curved structures, which can be treated as new carbon allotropes. We studied the…
We report a confocal Raman study on edges of single layer graphene. It is found that edge orientations could be identified by G mode besides D mode. We observe that G mode at edges of single layer graphene exhibits polar behaviors and…
Graphene-based nanostructures exhibit a vast range of exciting electronic properties that are absent in extended graphene. For example, quantum confinement in carbon nanotubes and armchair graphene nanoribbons (AGNRs) leads to the opening…