Related papers: Nuclear quantum effects in graphane
The influence of nanostructuring and quantum confinement on the thermoelectric properties of materials has been extensively studied. While this has made possible multiple breakthroughs in the achievable figure of merit, classical…
Localized magnetic moments have been predicted to develop in graphene samples with vacancies or adsorbates. The interplay between such magnetic impurities and graphene's Dirac quasiparticles leads to remarkable many-body phenomena, which…
Energetic and geometric aspects of the permeation of low-Z atoms through graphene sheets are investigated. Energy barriers and deformations are calculated via density functional theory for the permeation of H, He, Li and Be atoms at several…
The electrical conductivity of graphene with a nonzero mass-gap parameter is investigated starting from the first principles of quantum electrodynamics in (2+1)-dimensional space-time at any temperature. The formalism of the polarization…
We calculate the thermopower of monolayer graphene in various circumstances. First we show that experiments on the thermopower of graphene can be understood quantitatively with a very simple model of screening in the semiclassical limit. We…
Graphene quantum dots (GQDs) represent single layers up to dozens of graphene layers smaller than 30 nm. GQDs are newish molecules that have aroused great interest in research because of their exceptional and manageable optical, electrical,…
The free energy and the equation of state of isospin-asymmetric nuclear matter are calculated at finite temperature up to three loop order in the framework of in-medium chiral perturbation theory, systematically incorporating one- and…
We obtained numerical and closed-form analytic expressions for finite-temperature plasmon dispersion relations for intrinsic graphene in the presence of a finite energy gap in the energy spectrum. The calculations were carried out using the…
The morphology of graphene on SiC {0001} surfaces formed in various environments including ultra-high vacuum, 1 atm of argon, and 10^-6 to 10^-4 Torr of disilane is studied by atomic force microscopy, low-energy electron microscopy, and…
Propylene carbonate (PC) wets graphite with a contact angle of 31 deg at ambient conditions. Molecular dynamics simulations agree with this contact angle after 40% reduction of the strength of graphite-C atom Lennard-Jones interactions with…
Graphene can at present be grown at large quantities only by the chemical vapor deposition method, which produces polycrystalline samples. Here, we describe a method for constructing realistic polycrystalline graphene samples for atomistic…
Graphene, the 2D form of carbon, has excellent mechanical, electrical and thermal properties and a variety of potential applications including NEMS, protective coatings, transparent electrodes in display devices and biological applications.…
The reflectance of graphene is investigated in the framework of the Dirac model with account of its realistic properties, such as nonzero chemical potential and band gap, at any temperature. For this purpose, the exact reflection…
Graphene quantum dots (GQDs) are nanoscale structures of graphene with quantum properties and edge effects that give photoluminescence properties. The effect of quantum confinement and differences in the nature of GQD structure makes its…
Graphene enables precise carrier-density control via gating, making it an ideal platform for studying electronic interactions. However, sample inhomogeneities often limit access to the low-density regimes where these interactions dominate.…
We adopt the Dirac model for quasiparticles in graphene and calculate the finite temperature Casimir interaction between a suspended graphene layer and a parallel conducting surface. We find that at high temperature the Casimir interaction…
We reveal the hydrogen isotope effect of three chemical reactions, i.e, the reflection, the absorption and the penetration ratios, by classical molecular dynamics simulation with a modified Brenner's reactive empirical bond order (REBO)…
We study the ground-state properties of a double layer graphene system with the Coulomb interlayer electron-electron interaction modeled within the random phase approximation. We first obtain an expression of the quantum capacitance of a…
Graphynes and graphdiynes are carbon 2D allotrope structures presenting both sp2 and sp hybridized atoms. These materials have been theoretically predicted but due to intrinsic difficulties in their synthesis, only recently some of these…
All-carbon heterostructures have been produced recently via focused ion beam patterning of single layer graphene. Amorphized graphene is similar to a graphene sheet in which some hexagons are replaced by a combination of pentagonal,…