Related papers: Bending mode fluctuations and structural stability…
Proceeding from the model of a two-dimensional elastic continuum, we describe the characteristic features of thermal expansion of graphene using an approach that goes beyond the quasi-harmonic approximation. The negative value of the…
The thermal stability of graphene/graphane nanoribbons (GGNRs) is investigated using density functional theory. It is found that the energy barriers for the diffusion of hydrogen atoms on the zigzag and armchair interfaces of GGNRs are 2.86…
Ever since the discovery of graphene and subsequent explosion of interest in single atom thick materials, studying their mechanical properties has been an active area of research. New length scales often necessitate a rethinking of physical…
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…
We describe very fast electron dynamics for a graphene nanoribbon driven by a control electromagnetic field in the terahertz regime. The mobility as a function of bias possesses a large threshold value when entering a nonlinear transport…
The size-dependent electrical resistivity of single-layer graphene ribbons has been studied experimentally for ribbon widths from 16 nm to 320 nm. The experimental findings are that the resistivity follows a more dramatic trend than that…
Catalyst-free vertically aligned graphene nanoflakes possessing a large amount of high density edge planes were functionalized using nitrogen species in a low energy N+ ion bombardment process to achieve pyridinic, cyanide and nitrogen…
The high-order harmonic generation in finite topological nanoribbons is investigated using a tight-binding description. The ribbons consist of hexagons and are almost one-dimensional. Two edge states emerge at the short edges of the ribbon…
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…
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…
We employ a dual-gated geometry to control the band gap \Delta in bilayer graphene and study the temperature dependence of the resistance at the charge neutrality point, RNP(T), from 220 to 1.5 K. Above 5 K, RNP(T) is dominated by two…
Presence of flat bands and edge states at the Fermi level in graphene nanoribbons with zigzag edges is one of the most interesting and attracting properties of nanocarbon materials but it is believed that they are quite fragile states and…
Using a combination of accurate density-functional theory and a nonequilibrium Green function's method, we calculate the ballistic thermal conductance characteristics of tensile-strained armchair (AGNR) and zigzag (ZGNR) edge graphene…
Temperature constraints are highly desirable in the experimental setup when seeking the synthesis of new carbon structures. Fluctuations of the Dirac field result in temperature-dependent corrections to the Helfrich-Canham formulation,…
We investigate the effects of homogeneous and inhomogeneous deformations and edge disorder on the conductance of gated graphene nanoribbons. Under increasing homogeneous strain the conductance of such devices initially decreases before it…
We investigate theoretically the electromechanical properties of freely suspended nanowires that are in tunnelling contact with the tip of a scanning tunnelling microscope (STM) and two supporting metallic leads. The aim of our analysis is…
The thermoelectric properties of in plane heterostructures made of Graphene and hexagonal Boron Nitride (BN) have been investigated by means of atomistic simulation. The heterostructures consist in armchair graphene nanoribbons to the sides…
We study the effects of thermal flucutations on thin elastic filaments with spontaneous curvature and torsion. We derive analytical expressions for the orientational correlation functions and for the persistence length of helices, and find…
Thermal ripples of graphene are well understood at room temperature, but their quantum counterparts at low temperatures are still in need of a realistic quantitative description. Here we present atomistic path-integral Monte Carlo…
We investigate from first principles the electronic and optical properties of edge-modulated armchair graphene nanoribbons, including both quasi-particle corrections and excitonic effects. Exploiting the oscillating behavior of the ribbon…