Graphene has recently emerged as a serious contender for the post Silicon era. Graphene NanoRibbon (GNR) devices have similar performance characteristics as Carbon Nano Tube (CNT) ones. However, lithographic patterning methods applied to graphene avoids the degree of chirality control and alignment issues typical of CNTs. GNR devices and GNR interconnect can be seamlessly obtained by patterning...

We present a new force-field potential that describes the interlayer interactions in heterojunctions based on graphene and hexagonal boron nitride (h-BN). The potential consists of a long-range attractive term and a short-range anisotropic repulsive term. Its parameters are calibrated against reference binding and sliding energy profiles for a set of finite dimer systems and the periodic graphe...

The emergence of graphene with its unique electrical properties has triggered hopes in the electronic devices community regarding its exploitation as a channel material in field effect transistors. Graphene is especially promising for devices working at frequencies in the 100 GHz range. So far, graphene field effect transistors (GFETs) have shown cutoff frequencies up to 300 GHz, while exhibiti...

We present a computational investigation of free-standing graphene bilayer edge (BLE) structures, aka “fractional nanotubes.” We demonstrate that these curved carbon nanostructures possess a number of interesting properties, electronic in origin. The BLEs, quite atypical of elemental carbon, have large permanent electric dipoles of 0.87 and 1.14 debye/Å for zigzag and armchair inclinations, res...

Free energies for graphene exfoliation from bilayer graphene using ionic liquids based on various cations paired with the bis(trifluoromethylsulfonyl)imide anion were determined from adaptive bias force-molecular dynamics (ABF-MD) simulation and fall in excellent qualitative agreement with experiment. This method has notable potential as an a priori screening tool for performance based rank ord...

The Hofstadter butterfly spectrum for Landau levels in a two-dimensional periodic lattice is a rare example exhibiting fractal properties in a truly quantum system. However, the observation of this physical phenomenon in a conventional material will require a magnetic field strength several orders of magnitude larger than what can be produced in a modern laboratory. It turns out that for a spec...

The ability to manufacture tailored graphene nanostructures is a key factor to fully exploit its enormous technological potential. We have investigated nanostructures created in graphene by swift heavy ion induced folding. For our experiments, single layers of graphene exfoliated on various substrates and freestanding graphene have been irradiated and analyzed by atomic force and high resolutio...

The crossing minimization problem is a classic and very important problem in graph drawing (Pach, Tòth 1997); the results directly affect the effectiveness of the layout, especially for very large scale graphs. But in many cases crossings cannot be avoided. In this paper we present two models for bipartite graph drawing, aiming to reduce crossings that cannot be avoided in the traditional bilay...

We employ the tight binding model to describe the electronic band structure of bilayer graphene and we explain how the optical absorption coefficient of a bilayer is influenced by the presence and dispersion of the electronic bands, in contrast to the featureless absorption coefficient of monolayer graphene. We show that the effective low energy Hamiltonian is dominated by chiral quasiparticles...

We investigate the effect of asymmetry in bilayer graphene induced by a diatomic substrate (such as SiC) and its influence on the bilayer spectrum in zero and strong magnetic fields. We also determine selection rules for inter-Landau level transitions, taking into account all four π bands.