Related papers: Modelling of epitaxial graphene functionalization

Different stoichiometric configurations of graphane and graphene fluoride are investigated within density functional theory. Their structural and electronic properties are compared, and we indicate the similarities and differences among the…

The materials science of graphene grown epitaxially on the hexagonal basal planes of SiC crystals is reviewed. We show that the growth of epitaxial graphene on Si-terminated SiC(0001) is much different than growth on the C-terminated…

Graphene grown epitaxially on SiC has been proposed as a material for carbon-based electronics. Understanding the interface between graphene and the SiC substrate will be important for future applications. We report the ability to image the…

In recent years, graphene growth optimization has been one of the key routes towards large-scale, high-quality graphene production. We have measured in-situ residual gas content during epitaxial graphene growth on silicon carbide (SiC) to…

We present a method for decoupling epitaxial graphene grown on SiC(0001) by intercalation of a layer of fluorine at the interface. The fluorine atoms do not enter into a covalent bond with graphene, but rather saturate the substrate Si…

Adatom-decorated graphene offers a promising new path towards spintronics in the ultrathin limit. We combine experiment and theory to investigate the electronic properties of dilutely fluorinated bilayer graphene, where the fluorine adatoms…

Based on the results of first-principles calculations we demonstrate that significant distortion of graphene sheets caused by adsorption of fluorine atoms leads to the formation of metastable patterns for which the next step of fluorination…

Graphene is generally considered to be a strong candidate to succeed silicon as an electronic material. However, to date, it actually has not yet demonstrated capabilities that exceed standard semiconducting materials. Currently…

The study of the nanomechanics of graphene $-$ and other 2D materials $-$ has led to the discovery of exciting new properties in 2D crystals, such as their remarkable in-plane stiffness and out of plane flexibility, as well as their unique…

The realization of air-stable 2D metals epitaxial to SiC and capped by graphene creates a potentially immense chemical space of 2D metals and alloys that could expand the variety of solid-state excitations unique to 2D metals beyond what is…

There are a large number of atomically thin graphitic films with similar structure to graphene. These films have a spread of bandgaps relating to their ionicity, and also to the substrate on which they are grown. Such films could have a…

The scattering of two-dimensional massless Dirac fermions from local spin-orbit interactions with an origin in dilute concentrations of physisorbed atomic species on graphene is theoretically investigated. The hybridization between graphene…

Defect is no longer deemed an adverse aspect of graphene. Contrarily, it can pave ways of extending applicability of graphene. Here, we discuss the effects of three types of defects on graphene: carbon deficiency, adatom (single Fe) dopant…

Using in situ low-energy electron microscopy and density functional theory, we studied the growth structure and work function of bilayer graphene on Pd(111). Low-energy electron diffraction analysis established that the two graphene layers…

High quality epitaxial graphene films can be applied as templates for tailoring graphene-substrate interfaces that allow for precise control of the charge carrier behavior in graphene through doping and many-body effects. By combining…

(See the complete abstract within the thesis in both English and German versions) In this thesis, the process conditions of the epitaxial graphene growth through a socalled polymer-assisted sublimation growth method are minutely…

Thermal decomposition of silicon carbide is a promising approach for the fabrication of graphene. However, the atomistic growth mechanism of graphene remains unclear. This paper describes the development of a new charge-transfer interatomic…

In this article we derive the lattice Green Functions (GFs) of graphene using a Tight Binding Hamiltonian incorporating both first and second nearest neighbour hoppings and allowing for a non-orthogonal electron wavefunction overlap. It is…

A density-functional approach on the hexagonal graphene lattice is developed using an exact numerical solution to the Hubbard model as the reference system. Both nearest-neighbour and up to third nearest-neighbour hoppings are considered…

Density function theory calculations were carried out to clarify storage states of Lithium (Li) ions in graphene clusters. The adsorption energy, spin polarization, charge distribution, electronic gap, surface curvature and dipole momentum…