Related papers: Self-passivating edge reconstructions of graphene
Experiments are finally revealing intricate facts about graphene which go beyond the ideal picture of relativistic Dirac fermions in pristine two dimensional (2D) space, two years after its first isolation. While observations of rippling…
Vertically vibrated rod-shaped granular materials confined to quasi-2D containers self organize into distinct patterns. We find, consistent with theory and simulation, a density dependent isotropic-nematic transition. Along the walls, rods…
We combine density-functional theory and the nonequilibrium Green's function method to study the thermal conductance of graphene nanoribbons with armchair and zigzag edges. Zigzag ribbons have higher thermal conductance than armchair…
In order to harvest the many promising properties of graphene in (electronic) applications, a technique is required to cut, shape or sculpt the material on a nanoscale without damage to its atomic structure, as this drastically influences…
Edge states in narrow quasi two-dimensional nanostructures determine, to a large extent, their electric, thermoelectric and magnetic properties. Non-magnetic edge states may quite often lead to topological insulator type behavior. However…
Edge termination plays a vital role in determining the properties of 2D materials. By performing compelling ab initio simulations, a lowest-energy U-edge [ZZ(U)] reconstruction is revealed in the bilayer phosphorene. Such reconstruction…
We study the absorption and dispersion properties of a ${\bf \Lambda}$-type atom which decays spontaneously near the edge of a photonic band gap (PBG). Using an isotropic PBG model, we show that the atom can become transparent to a probe…
The accurate characterisation of the 3D deformations of slender fibres and thin sheets in flow, is a key experimental challenge in the study of particle-laden flows. We propose a high-resolution, single-camera method to visualise…
The plane wave scattering and absorption by finite and infinite gratings of free-space standing infinitely long graphene strips are studied in the THz range. A novel numerical approach, based on graphene surface impedance, hyper-singular…
We have studied two interchange layer systems, (i) free standing partly hydrogenated graphene (graphone), and (ii) graphone on the Nickel (111) surface, to assess various density functional theory based computational schemes incorporating…
Carbon nanostructures with zigzag edges exhibit unique properties with exciting potential applications. Such nanostructures are generally synthesized under vacuum because their zigzag edges are unstable under ambient conditions: a barrier…
Graphone is a half-hydrogenated graphene. The structure of graphone is illustrated as trigonal adsorption of hydrogen atoms on graphene at first. However, we found the trigonal adsorption is unstable. We present an illustration in detail to…
Graphene is a two-dimensional layer of carbon atoms arranged in a honeycomb lattice, whose outstanding properties makes it an excellent material for future electronic and photonic terahertz (THz) devices. In this work, we design hybrid…
The electronic structure of pentacene decorated with dipole groups (d-pentacene) and adsorbed onto a graphene substrate has been studied within the density functional theory. Three reference configurations have been considered, namely the…
We experimentally investigated the properties of graphite layers produced by an easy and non-conventional method of repeatedly rubbing conventional random stacked graphite bulk against insulating and semiconductor substrates. The patterned…
We investigate the conductivity of graphene sheet deformed over a gate. The effect of the deformation on the conductivity is twofold: The lattice distortion can be represented as pseudovector potential in the Dirac equation formalism,…
We study the adsorption of Li to graphene flakes described as aromatic molecules. Surprisingly the out of plane deformation is much stronger for the double adsorption from both sides to the same ring than for a single adsorption, although a…
Graphene is one of the most important materials in science today due to its unique and remarkable electronic, thermal and mechanical properties. However in its pristine state, graphene is a gapless semiconductor, what limits its use in…
Hydrogenation has proven to be an effective tool to open the bandgap of graphene. In the present density functional study we demonstrate that single-side-hydrogenated graphene is a semiconductor with an indirect bandgap of 1.89 eV, in…
The stability of graphene multivacancy systems is studied using Density Functional Theory (DFT) calculations. This work describes the evolution of the energy of formation per carbon atom for zigzag and armchair complementary figures -i.e.…