Related papers: A new route towards uniformly functionalized singl…
We present first-principles calculations of silicene/graphene and germanene/graphene bilayers. Various supercell models are constructed in the calculations in order to reduce the strain of the lattice-mismatched bilayer systems. Our…
2D crystals, such as graphene, exhibit the higher strength and stiffness of any other known man-made or natural material. So far, this assertion has been primarily based on modelling predictions and on bending experiments in combination…
Single layers of carbon dubbed "graphenes", from which graphite is built, have attracted broad interest in the scientific community because of recent exciting experimental results. Graphene is interesting from a fundamental research…
We study the orbital effect of a strong magnetic field parallel to the layers on the energy spectrum of the Bernal-stacked graphene bilayer and multilayers, including graphite. We consider the minimal model with the electron tunneling…
We show, by exact Renormalization Group methods, that in multi-layer graphene the dimensional crossover energy scale is decreased by the intra-layer interaction, and that for temperatures and frequencies greater than such scale the…
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…
The possibility to control the commensurability and distance between graphene layers separated by a dielectric spacer is considered by the example of a heterostructure consisting of double-layer graphene separated by atomic layers of argon.…
Monolayer phosphorene provides a unique two-dimensional (2D) platform to investigate the fundamental many-body interactions. However, owing to its high instability, unambiguous identification of monolayer phosphorene has been elusive.…
Low-energy reflectivity of electrons from single- and multi-layer graphene is examined both theoretically and experimentally. A series of minima in the reflectivity over the energy range of 0 - 8 eV are found, with the number of minima…
The saw-tooth scaling investigations of work functions (WF) in hydrogenated graphene are theoretically performed by density functional theory. The positions of hydrogen atoms and the H/C ratios affect WF. With the comparison of different…
We report a double-layer electronic system made of two closely-spaced but electrically isolated graphene monolayers sandwiched in boron nitride. For large carrier densities in one of the layers, the adjacent layer no longer exhibits a…
Multilayer graphene with rhombohedral and Bernal stacking are supposed to be metallic, as predicted by density functional theory calculations using semi-local functionals. However recent angular resolved photoemission and transport data…
The effects of fluorine functionalization on the hydrogen storage capability of alkaline decorated III\textsubscript{4}-V\textsubscript{4} monolayers is studied. This structure can store up to two hydrogen molecules per alkaline atom. Here,…
We performed a first principles investigation on the structural and electronic properties of group-IV (C, SiC, Si, Ge, and Sn) graphene-like sheets in flat and buckled configurations and the respective hydrogenated or fluorinated…
We find experimentally that the optical sheet conductance of graphite per graphene layer is very close to $(\pi/2)e^2/h$, which is the theoretically expected value of dynamical conductance of isolated monolayer graphene. Our calculations…
Through self-consistent quantum transport simulations, we evaluate the RF performance of monolayer graphene FETs in the bias region of negative output differential resistance. We show that, compared to the region of quasi-saturation, a…
We present a high scale method to produce few layer graphene (FLG) based on the mechanical exfoliation of graphite and compare the obtained FLG with the one reported earlier arising from pencil lead ablation. Several things are modified and…
In this paper, we have studied functionalization of 5-7 edge-reconstructed graphene nanoribbons by ab initio density functional calculations. Our studies show that hydrogenation at the reconstructed edges is favorable in contrast to the…
The electronic structure of a single-layer graphene with a periodic Fermi velocity modulation is investigated by using an effective Dirac-like Hamiltonian. In a gapless graphene or in a graphene with a constant energy gap the modulation of…
The thermal conductivity of monolayer graphene is an outstanding challenge with no consensus reached on its exact value and length convergence so far. We consider four-phonon scattering, phonon renormalization, and an exact solution to…