Related papers: If graphynes turn into graphene: the thermal stabi…
As a new carbon allotrope, the recently fabricated graphdiyne has attracted much attention due to its interesting two-dimensional character. Here we demonstrate by multiscale computations that, unlike graphene, graphdiyne has a natural band…
The impact of renormalization of the electron spectrum on the chemical potential, heat capacity, and oscillating magnetic moment is studied. The cases of low and high temperatures are considered. At low temperatures, doped graphene behaves…
The use of Raman scattering techniques to study the mechanical properties of graphene films is reviewed here. The determination of Gruneisen parameters of suspended graphene sheets under uni- and bi-axial strain is discussed and the values…
Graphene is considered to be a promising candidate for future nano-electronics due to its exceptional electronic properties. Unfortunately, the graphene field-effect-transistors (FETs) cannot be turned off effectively due to the absence of…
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…
The presence in the graphyne sheets of a variable amount of sp2/sp1 atoms, which can be transformed into sp3-like atoms by covalent binding with one or two fluorine atoms, respectively, allows one to assume the formation of fulorinated…
The formation of image-potential states at the interface between a graphene layer and a metal surface is studied by means of model calculations. An analytical one-dimensional model-potential for the combined system is constructed and used…
We theoretically investigate the dynamical stability of one-dimensional fullerene polymers by computing the phonon dispersion relations within the atomistic approach. We find that only seven models among 54 models proposed previously [J.…
The resistivity of ultra-clean suspended graphene is strongly temperature dependent for 5K<T<240K. At T~5K transport is near-ballistic in a device of ~2um dimension and a mobility ~170,000 cm^2/Vs. At large carrier density, n>0.5*10^11…
Reflectance and transmittance of graphene in the optical region are analyzed as a function of frequency, temperature, and carrier density. We show that the optical graphene properties are determined by the direct interband electron…
By using the density functional theory (DFT) combined with the molecular dynamics (MD) simulations, structural and electronic properties of mono-vacancy (MV) defect in M\"obius strip formed from graphene are investigated. Two kinds of MV…
The temperature dependence of electric transport properties of single-layer and few-layer graphene at large charge doping is of great interest both for the study of the scattering processes dominating the conductivity at different…
The kinetics for O2 oxidation of individual graphite and graphene platelet nanoparticles (NPs) were studied as a function of temperature (1200 to 2200 K) at varying oxygen partial pressures, using a single nanoparticle mass spectrometry…
The nanofriction of Xe monolayers deposited on graphene was explored with a quartz crystal microbalance (QCM) at temperatures between 25 and 50 K. Graphene was grown by chemical vapor deposition and transferred to the QCM electrodes with a…
In multilayer graphene, the stacking order of the layers plays a crucial role in the electronic properties and the manifestation of superconductivity. By applying shear stress, it is possible to induce sliding between different layers,…
The thermal conductivity (TC) of isolated graphene with different concentrations of isotopes (C13) is studied with equilibrium molecular dynamics method at 300K. In the limit of pure C12 or C13 graphene, TC of graphene in zigzag and…
Using the density-functional-based tight-binding method we performed a systematic comparative study of stability, structural and electronic properties for 12 various types of graphene allotropes, which are likely candidates for engineering…
Molecular hydrogen in the bulk of graphite has been studied by path-integral molecular dynamics simulations. Finite-temperature properties of H_2 molecules adsorbed between graphite layers were analyzed in the temperature range from 300 to…
Despite the recent developments in Graphene Oxide due to its importance as a host precursor of Graphene, the detailed electronic structure and its evolution during the thermal reduction remain largely unknown, hindering its potential…
Electrodynamics of single-layer graphene is studied in the scaling regime. At any finite temperature, there is a weakly damped collective thermo-plasma polariton mode whose dispersion and wavelength dependent damping is determined…