Related papers: Adsorption of Hydrogen in Graphene without Band Ga…
Impurities are unavoidable during the preparation of graphene samples and play an important role in graphene's electronic properties when they are adsorbed on graphene surface. In this work, we study the electronic structures and transport…
The tight-binding model of bilayer graphene is used to find the gap between the conduction and valence bands, as a function of both the gate voltage and as the doping by donors or acceptors. The total Hartree energy is minimized and the…
Graphene holds great promise for post-silicon electronics, however, it faces two main challenges: opening up a bandgap and finding a suitable substrate material. In principle, graphene on hexagonal boron nitride (hBN) substrate provides…
Nitrogen-doped graphene was recently synthesized and was reported to be a catalyst for hydrogen dissociative adsorption under a perpendicular applied electric field (F). In this work, the diffusion of H atoms on N-doped graphene, in the…
Transport properties through wide and short ballistic graphene junctions are studied in the presence of arbitrary dopings and magnetic fields. No dependence on the magnetic field is observed at the Dirac point for any current cumulant, just…
Graphene-based materials (GBMs) constitute a large family of materials which has attracted great interest for potential applications. In this work, we apply first-principles calculations based on density functional theory (DFT) and fully…
The electronic properties of hydrogenated graphenes are investigated with the first-principles calculations. Geometric structures, energy bands, charge distributions, and density of states (DOS) strongly depend on the different…
Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-principles electronic structure means, employing plane-wave based, periodic density functional theory. A reasonably large 5x5 surface unit…
Ab-initio calculations have been performed to study the geometry and electronic structure of boron (B) and nitrogen (N) doped graphene sheet. The effect of doping has been investigated by varying the concentrations of dopants from 2 % (one…
The Dirac-like quasiparticles in honeycomb graphene lattice are taken to possess a non-zero effective mass. The charge carriers involve to interact with a femtosecond strong laser pulse. Due to the scattering time of electrons in graphene…
We study non-linear dc transport in graphene using a hydrodynamic approach and conclude that in clean samples the drift velocity saturates at a weakly density-dependent value v_{sat} ~ 10^7 cm/s. We show that saturation results from the…
Tunnelling of electrons in graphene-based junctions is studied theoretically. Graphene is assumed to be deposited either directly on a ferromagnetic insulator or on a few atomic layers of boron nitride which separate graphene from a…
The adhesion of graphene on slightly lattice-mismatched surfaces, for instance of hexagonal boron nitride (hBN) or Ir(111), gives rise to a complex landscape of sublattice symmetry-breaking potentials for the Dirac fermions. Whereas a gap…
Density functional calculations are employed to study the molecular dissociation of hydrogen on graphene, the diffusion of chemisorbed atomic species, and the electronic properties of the resulting hydrogen on graphene system. Our results…
The electronic properties of graphene may be changed from semimetallic to semiconducting by introducing perforations (antidots) in a periodic pattern. The properties of such graphene antidot lattices (GALs) have previously been studied…
Studies of the structural, electronic, and optical characteristics of the interfaces between graphene and ZnO polar surfaces is carried out using first-principles simulations. At the interface, a strong van der Waals force is present, and…
Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT)…
We study the DC transport of finite graphene samples with random gap. Using Dirac fermions to describe the low-energy physics near the Dirac point, we employ a generalized Drude form for the conductivity. The latter is constant for a…
Twisted bilayer graphene (TBG) hosts nearly flat bands with narrow bandwidths of a few meV at certain {\em magic} twist angles. Here we show that in twisted gapped Dirac material bilayers, or massive twisted bilayer graphenes (MTBG),…
We analyze a well-known experimental work [J. Crossno et al., Science 351, 1058 (2016)] which reported on the failure of the Wiedemann-Franz law in graphene at $T\sim 10$-$100\,\mathrm{K}$, attributing this failure to the non-Fermi liquid…