Related papers: Graphane -- material for hydrogen storage, breathe…
The electronic and magnetic properties of graphane with H-vacancies are investigated with the help of quantum-chemistry methods. The hybridization of the edges is found to be absolutely crucial in defining the size of the bandgap, which is…
Graphane is a two-dimensional system consisting of a single layer of fully saturated (sp$^3$ hybridization) carbon atoms. In an ideal graphane structure C-H bonds exhibit an alternating pattern (up and down with relation to the plane…
To grow precisely aligned graphene on h-BN without metal catalyst is extremely important, which allows for intriguing physical properties and devices of graphene/h-BN hetero-structure to be studied in a controllable manner. In this report,…
The graphene superlattice equation, a modified sine-Gordon equation, governs the propagation of solitary electromagnetic waves in a graphene superlattice. This equation has kink solutions without explicit analytical expression, requiring…
In this thesis, I propose a practical way to stabilize half passivated graphene (graphone). I show that the dipole moments induced by a hexagonal-boron nitride (h-BN) substrate on graphene stabilize the hydrogen atoms on one sublattice of…
We investigate the electronic structure of graphene on a series of 2D hexagonal nitride insulators hXN, X = B, Al, and Ga, with DFT calculations. A symmetry-based model Hamiltonian is employed to extract orbital parameters and spin-orbit…
The single graphene layer is a novel material consisting of a flat monolayer of carbon atoms packed in a two-dimensional honeycomb-lattice, in which the electron dynamics is governed by the Dirac equation. A pseudo-spin phase-space approach…
In this Chapter we provide a review of the main results obtained in the modeling of graphene kinks and antikinks, which are elementary topological excitations of buckled graphene membranes. We introduce the classification of kinks, as well…
Interlayer electron transport through a graphene / hexagonal boron-nitride (h-BN) / graphene heterostructure is strongly affected by the misorientation angle $\theta$ of the h-BN with respect to the graphene layers with different physical…
Previous experimental observations for H intercalation under graphene on SiC surfaces motivate clarification of configuration stabilities and kinetic processes related to intercalation. From first-principles density-functional-theory (DFT)…
Graphene - a monolayer of carbon atoms densely packed into a hexagonal lattice - has one of the strongest possible atomic bonds and can be viewed as a robust atomic-scale scaffold, to which other chemical species can be attached without…
The ability of atomic hydrogen to chemisorb on graphene makes the latter a promising material for hydrogen storage. Based on scanning tunneling microscopy techniques, we report on site-selective adsorption of atomic hydrogen on convexly…
In this paper, a continuum mechanics model of graphene is proposed, and its analytical solution is derived. Graphene is modeled as a doubly-periodic thin elastic plate with a hexagonal cell having a circular hole at the hexagon center.…
Aiming to improve fabrication protocols for boron nitride and graphene (h-BNG) lateral heterostructures, we studied the growth of h-BNG thin films on platinum and their behavior in an oxygen environment. We employed a surface science…
A degenerate pump--probe technique is used to investigate the non equilibrium carrier dynamics in multi--layer graphene. Two distinctly different dynamics of the carrier relaxation are observed. A fast relaxation ($\sim 50$ fs) of the…
A scalable tight-binding model is applied for large-scale quantum transport calculations in clean graphene subject to electrostatic superlattice potentials, including two types of graphene superlattices: moir\'e patterns due to the stacking…
Experiments [1] have shown that auto-kirigami structures can grow on the surface of graphene because the graphene-graphene adhesion energy is greater than the graphene-substrate interaction. In this work molecular dynamics (MD) simulations…
We study theoretically the interaction of twisted light with graphene. The light-matter interaction matrix elements between the tight-binding states of electrons in graphene are determined near the Dirac points. We examine the dynamics of…
We propose, on the basis of our first principles density functional based calculations, a new isomer of graphane, in which the C-H bonds of a hexagon alternate in 3-up, 3-down fashion on either side of the sheet. This 2D puckered structure…
In the present study the interaction of a sine-Gordon kink with a localized inhomogeneity is considered. In the absence of dissipation, the inhomogeneity considered is found to impose a potential energy barrier. The motion of the kink for…