Related papers: Comment on "Sticking of Hydrogen on Supported and …
A continuum model for low-energy physisorption on a membrane under tension is proposed and studied with variational mean-field theory. A discontinuous change in the energy-dependent sticking coefficient is predicted under certain…
Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-principles electronic structure means, employing plane-wave based, periodic density functional theory. A reasonably large 5x5 surface unit…
Using molecular dynamics simulations, we probe a suspended graphene layer by a diamond-like-carbon tip at various temperatures. The force acting on the tip in the sliding direction is measured to be negative at liquid-helium temperature.…
The weak temperature dependence of the resistance R(T) of monolayer graphene1-3 indicates an extraordinarily high intrinsic mobility of the charge carriers. Important complications are the presence of mobile scattering centres that strongly…
Diffusion of atomic and molecular hydrogen in the interstitial space between graphite sheets has been studied by molecular dynamics simulations. Interatomic interactions were modeled by a tight-binding potential fitted to density-functional…
With use of simulated friction force microscopy, we study the effect of varying temperature on the frictional properties of suspended graphene. In contrast with the theory of thermally activated friction on the surfaces of three-dimensional…
This paper studies the lubricating properties of graphene on randomly rough Au surfaces in sliding nanofriction using molecular dynamics. It is shown that the friction and the consequent heat dissipation decrease more than an order of…
One of the salient features of graphene is the very high carrier mobility that implies tremendous potential for use in electronic devices. Unfortunately, transport measurements find the expected high mobility only in freely suspended…
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…
Density functional calculations are employed to study the molecular dissociation of hydrogen on graphene, the diffusion of chemisorbed atomic species, and the electronic properties of the resulting hydrogen on graphene system. Our results…
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…
Graphene nanosheets display large hydrodynamic slip lengths in most solvents, and because of this, adopt a stable orientation in a shear flow instead of rotating when thermal fluctuations are negligible [Kamal et al., Nature Comm.,…
We study the sticking rate of atomic hydrogen to suspended graphene using four different methods that include contributions from processes with multiphonon emission. We compare the numerical results of the sticking rate obtained by: (1) the…
We study fluctuations of the conductance of micron-sized graphene devices as a function of the Fermi energy and magnetic field. The fluctuations are studied in combination with analysis of weak localization which is determined by the same…
Density functional calculations of electronic structure, total energy, structural distortions, and magnetism for hydrogenated single-layer, bilayer, and multi-layer graphene are performed. It is found that hydrogen-induced magnetism can…
Hydrogen adsorption by graphite is examined by classical molecular dynamics simulation using a modified Brenner REBO potential. Such interactions are typical in chemical sputtering experiments, and knowledge of the fundamental behavior of…
We use non-perturbative renormalization group techniques to calculate the momentum dependence of thermal fluctuations of graphene, based on a self-consistent calculation of the momentum dependent elastic constants of a tethered membrane. We…
Adsorption of hydrogen atoms to a carbon atom vacancy in graphene is investigated by means of periodic \emph{first principles} calculations, up to the fully hydrogenated state where six H atoms chemically bind to the vacancy. Addition of a…
Using atomistic simulations we determine the roughness and the thermal properties of a suspended graphane sheet. As compared to graphene we found that hydrogenated graphene has: 1) a larger thermal contraction, 2) the roughness exponent at…
Thermal fluctuations of single layer hydrogenated graphene (graphane) are investigated using large scale atomistic simulations. By analyzing the mean square value of the height fluctuations $<h^2>$ and the height-height correlation function…