Related papers: Zero-temperature phase diagram of D$_2$ physisorbe…
This paper is an expanded edition of the rapid communication published several years ago by the author (Phys. Rev. B, v76, 041402(R), 2007) on the simulation of wetting transition of water on graphite, aiming to provide more details on the…
Among the many anticipated applications of graphene, some - such as transistors for Si microelectronics - would greatly benefit from the possibility to deposit graphene directly on a semiconductor grown on a Si wafer. We report that Ge(001)…
In addition to its exotic electronic properties graphene exhibits unusually high intrinsic thermal conductivity. The physics of phonons - the main heat carriers in graphene - was shown to be substantially different in two-dimensional (2D)…
We propose a simplified description of fluid adsorption on heterogenenous micropatterned substrates. Using this approach, we are able to rederive results obtained earlier using effective interfacial Hamiltonian methods and predict a number…
The thermal conductivity of suspended single-layer graphene was measured as a function of temperature using Raman scattering spectroscopy on clean samples prepared directly on a prepatterned substrate by mechanical exfoliation without…
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…
The reflectivity properties of graphene with nonzero mass-gap parameter are investigated in the framework of Dirac model using the polarization tensor in (2+1)-dimensional space-time. For this purpose, a more simple explicit representation…
Motivated by potential realizations in cold-atom or cold-molecule systems, we have performed quantum Monte Carlo simulations of two-component gases of fermions in two dimensions with hard-core interactions. We have determined the gross…
We made heat-capacity measurements of two dimensional (2D) $^3$He adsorbed on graphite preplated with monolayer $^4$He in a wide temperature range (0.1 $\leq T \leq$ 80 mK) at densities higher than that for the 4/7 phase (= 6.8 nm$^{-2}$).…
We introduce a quantum dimer model on the hexagonal lattice that, in addition to the standard three-dimer kinetic and potential terms, includes a competing potential part counting dimer-free hexagons. The zero-temperature phase diagram is…
The understanding of the structural and thermal properties of membranes, low-dimensional flexible systems in a space of higher dimension, is pursued in many fields from string theory to chemistry and biology. The case of a two-dimensional…
The remarkable electrical, optical and mechanical properties of graphene make it a desirable material for electronics, optoelectronics and quantum applications. A fundamental understanding of the electrical conductivity of graphene across a…
The geometric and electronic properties of Bi-adsorbed monolayer graphene, enriched by the strong effect of substrate, are investigated by first-principles calculations. The six-layered substrate, corrugated buffer layer, and slightly…
Recent studies on graphene hydrogenation processes showed that hydrogenation occurs via island growing domains, however how the substrate can affect the hydrogenation dynamics and/or pattern formation has not been yet properly investigated.…
The magnetic phase diagram at zero external field of an ensemble of dipoles with uniaxial anisotropy on a FCC lattice is investigated from tempered Monte Carlo simulations. The uniaxial anisotropy is characterized by a random distribution…
Graphene's original promise to succeed silicon faltered due to pervasive edge disorder in lithographically patterned deposited graphene and the lack of a new electronics paradigm. Here we demonstrate that the annealed edges in…
Thermal properties of graphene monolayers are studied by path-integral molecular dynamics (PIMD) simulations, which take into account the quantization of vibrational modes in the crystalline membrane, and allow one to consider anharmonic…
Graphene has been studied in detail due to its mechanical, electrical, and thermal properties. It is well documented that the introduction of dopants or defects in the lattice can be used to tune material properties for a specific…
We present a theoretical study of the dynamics of H atoms adsorbed on graphene bilayers with Bernal stacking. First, through extensive density functional theory calculations, including van der Waals interactions, we obtain the activation…
In this work, we investigate the hydrogen-storage properties of Zr-decorated $\gamma$-graphyne monolayer employing Density Functional Theory (DFT) for green energy storage. We predict that each Zr atom decorated on graphyne sheet (2D) can…