Related papers: Evidence for Graphene Edges Beyond Zigzag and Armc…
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…
The coherent electron transport along zigzag and metallic armchair graphene nanoribbons in the presence of one or two vacancies is investigated. Having in mind atomic scale tunability of the conductance fingerprints, the primary focus is on…
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…
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…
Edge states are one important ingredient to understand transport properties of graphene nanoribbons. We study experimentally the existence and the internal structure of edge states under uniaxial strain of the three main edges: zigzag,…
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…
We demonstrate that free graphene sheet edges can curl back on themselves,reconstructing as nanotubes. This results in lower formation energies than any other non-functionalised edge structure reported to date in the literature. We…
A zigzag edge of a graphene nanoribbon supports localized zero modes, ignoring interactions. Based mainly on mean field arguments and numerical approaches, it has been suggested that interactions can produce a large magnetic moment on the…
Although the unconventional $\pi$-magnetism at the zigzag edges of graphene holds promise for a wide array of applications, whether and to what degree it plays a role in their chemistry remains poorly understood. Here, we investigate the…
This study examines the roughness of mechanically cleaved edges in 2D crystals and glasses using molecular dynamics simulations with chemically accurate machine-learning force fields. Our results show that ultra-flat armchair and zigzag…
In our previous study, a single-branch of ferromagnetic magnon with linear dispersion is shown to exist near the (uncompensated) zigzag edge for Heisenberg model on honeycomb lattice. Here we develop a field-theory description for the edge…
Single layer graphene islands with a typical diameter of several nanometers were grown on a Pt (111) substrate. Scanning tunneling microscopy (STM) analysis showed most of islands are hexagonally shaped and the zigzag-type edge predominates…
Standing waves near the zigzag and armchair edges, and their Berry's phases are investigated. It is suggested that the Berry's phase for the standing wave near the zigzag edge is trivial, while that near the armchair edge is non-trivial. A…
The rules that govern spin exchange interaction in pristine graphene nanostructures are constrained by the bipartite character of the lattice, so that the sign of the exchange is determined by whether magnetic moments are on the same…
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…
The electronic properties of a triaxially strained hexagonal graphene flake with either armchair or zig-zag edges are investigated using molecular dynamics simulations and tight-binding calculations. We found that: i) the pseudo-magnetic…
Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the…
Structural distortions in nano-materials can induce dramatic changes in their electronic properties. This situation is well manifested in graphene, a two-dimensional honeycomb structure of carbon atoms with only one atomic layer thickness.…
This article reviews the basic theoretical aspects of graphene, a one atom thick allotrope of carbon, with unusual two-dimensional Dirac-like electronic excitations. The Dirac electrons can be controlled by application of external electric…
We investigate higher-order plasmons in graphene nanoribbons, and present how electronic edge states and wavefunction fine structure influence the graphene plasmons. Based on nearest-neighbor tight-binding calculations, we find that a…