Related papers: Isotopic effects in chair graphane
In this communication we present together four distinct techniques for the study of electronic structure of solids : the tight-binding linear muffin-tin orbitals (TB-LMTO), the real space and augmented space recursions and the modified…
We study the energy level structures of the defective graphane lattice, where a carbon dimer defect is created by removing the hydrogen atoms on two nearest-neighbor carbon sites. Robust defect states emerge inside the bulk insulating gap…
Coherent wave effects of thermal phonons hold promise of transformative opportunities in thermal transport control but remain largely unexplored due to the small wavelength of thermal phonons, typically below a few nanometers. This small…
The contact strength, adhesion and friction, between graphene and an incommensurate crystalline substrate such as {\it h}-BN depends on their relative alignment angle $\theta$. The well established Novaco-McTague (NM) theory predicts for a…
A simple model for flexural phonons in graphite (and graphene, corresponding to the limiting case of infinite distance between carbon planes) is proposed, in which the local dipolar moment is assumed to be proportional to the curvature of…
We investigate an effective model of proximity modified graphene (or symmetrylike materials) with broken time-reversal symmetry. We predict the appearance of quantum anomalous Hall phases by computing bulk band gap and Chern numbers for…
The Seebeck coefficient in multilayer graphene is investigated within the density-functional theory, using the semiclassical Boltzmann equations and interpolating the bands in a maximally-localized Wannier functions basis set. We compare…
A great efficacy of molecular quantum chemistry applied to basic graphene problems has been recently demonstrated by the authors when studying the formation of peculiar composites between carbon nanotubes and graphene as well as considering…
We propose a mechanical granular graphene obtained by replacing the carbon atoms with macroscopic spherical stainless steel beads in contact. The experimental measured dispersion relation is presented, in conjunction with evidence of the…
Patterned graphene shows substantial potential for applications in future molecular-scale integrated electronics. Environmental effects are a critical issue in a single layer material where every atom is on the surface. Especially…
We study chemical reaction between a single hydrogen atom and a graphene, which is the elemental reaction between hydrogen and graphitic carbon materials. In the present work, classical molecular dynamics simulation is used with modified…
One of the greatest issues of nanoelectronics today is how to control the heating of the components. Graphene is a promising material in this area and it is essential to study its thermal properties. Here, the effect of heating a bilayer…
We present a detailed study of the nuclear quantum effects in H/D sticking to graphene, comparing classical, quantum and mixed quantum/classical simulations to results of scattering experiments. Agreement with experimentally derived…
We perform a comprehensive analysis of the spectrum of graphene plasmons which arise when a pair of sheets are confined between conducting materials. The associated enhanced local fields may be employed in the manipulation of light on the…
Graphene is the stiffest material known so far but, due to its one-atom thickness, it is also very bendable. Consequently, free-standing graphene exhibit ripples that has major effects on its elastic properties. Here we will summarize three…
A formalism is proposed to study the electronic and transport properties of graphene sheets with corrugations as the one recently synthesized. The formalism is based on coupling the Dirac equation that models the low energy electronic…
Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a…
Disclinations in a 2D sheet create regions of Gaussian curvature whose inversion produces a reconfigurable surface with many distinct metastable shapes, as shown by molecular dynamics of a disclinated graphene monolayer. This material has a…
Graphene layers were created on both C and Si faces of semi-insulating, on-axis, 4H- and 6H-SiC substrates. The process was performed under high vacuum (<10-4 mbar) in a commercial chemical vapor deposition SiC reactor. A method for H2…
Graphene grown by chemical vapor deposition and supported on SiO2 and sapphire substrates was studied following controlled introduction of defects induced by 35 keV carbon ion irradiation. Changes in Raman spectra following fluences ranging…