Related papers: Modelling of epitaxial graphene functionalization

Monolayer epitaxial graphene is an appropriate candidate for a wide variety of electronic and optical applications. One advantage of growing graphene on the Si face of SiC is that it develops as a single crystal, as does the layer…

The growth of graphene by catalytic decomposition of ethylene on Cu(111) in an ultra-high vacuum system was investigated with low energy electron diffraction, low energy electron microscopy, and atomic force microscopy. Attempts to form a…

We report on theoretical investigations of the spin-orbit coupling effects in fluorinated graphene. First-principles density functional calculations are performed for the dense and dilute adatom coverage limits. The dense limit is…

Using atomic resolved scanning tunneling microscopy, we present here the experimental evidence of a silicene sheet (graphene like structure) epitaxially grown on a close-packed silver surface (Ag(111)). This has been achieved via direct…

We demonstrate the first successful functionalization of epitaxial three-dimensional graphene with metal nanoparticles. The functionalization is obtained by immersing the 3D graphene in a nanoparticle colloidal solution. This method is…

Density functional modeling of atomic structure and calculation of electronic structure of one-side one-sublattice functionalized graphene (graphone) are performed for hydrogen and fluorine adatoms. Shown that using of fluorine for…

Graphene functionalization by hydrogen and fluorine has been proposed as a route to modulate its reactivity and electronic properties. However, until now, proposed systems present degradation and limited hydrogen adsorption capacity. In…

Epitaxial growth via chemical vapor deposition is considered to be the most promising way towards synthesizing large area graphene with high quality. However, it remains a big theoretical challenge to reveal growth kinetics with atomically…

Graphene is a monoatomic layer of graphite with Carbon atoms arranged in a two dimensional honeycomb lattice configuration. It has been known for more than sixty years that the electronic structure of graphene can be modelled by…

A detailed review of the literature for the last 5-10 years on epitaxial growth of graphene is presented. Both experimental and theoretical aspects related to growth on transition metals and on silicon carbide are thoroughly reviewed.…

Simulation of chemical activity of corrugated graphene within density functional theory predicts an enhancement of its chemical activity if the ratio of height of the corrugation (ripple) to its radius is larger than 0.07. Further growth of…

Motivated by the state of the art method for fabricating high density periodic nanoscale defects in graphene, the structural, mechanical and electronic properties of defect-patterned graphene nanomeshes including diverse morphologies of…

Hydrogen adatoms are one of the most the promising proposals for the functionalization of graphene. Hydrogen induces narrow resonances near the Dirac energy, which lead to the formation of magnetic moments. Furthermore, they also create…

Man-made artificial graphene has attracted significant attention in the past few years due to the possibilities to construct designer Dirac fermions with unexpected topological properties and applications in nanoelectronics. Here we use a…

The observation of the anomalous quantum Hall effect in exfoliated graphene flakes triggered an explosion of interest in graphene. It was however not observed in high quality epitaxial graphene multilayers grown on silicon carbide…

We perform Monte Carlo simulations to study the interplay of structural and magnetic order in single layer graphene covered with magnetic adatoms. We propose that the presence of ripples in the graphene structure can lead to clustering of…

We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local…

We demonstrate hydrogen assisted growth of high quality epitaxial graphene on the C-face of 4H-SiC. Compared with the conventional thermal decomposition technique, the size of the growth domain by this method is substantially increased and…

Density functional theory has been used to study the adsorption of molecular H2 on a graphene layer. Different adsorption sites on top of atoms, bonds and the center of carbon hexagons have been considered and compared. We conclude that the…

We demonstrate the formation of epitaxial, ultrathin hafnia (HfO2) on graphene. Monoclinic hafnia (m-HfO2) forms as the end of a series of sequential oxidation reactions. Starting from Hf metal grown epitaxially on graphene, oxidation leads…