Related papers: Nonequilibrium adsorption of 2AnB patchy colloids …
Cosine-shaped bands that occur in DFT-based electronic band structures for MgB2 are further analyzed with calculations along reciprocal directions parallel to the high symmetry G-A direction at regular intervals along G-M. Band degeneracies…
We explore the behavior of two-dimensional patchy colloidal particles with 8 or 10 symmetrically arranged patches by employing Monte-Carlo simulations. The particles interact according to an isotropic pair potential that possesses only one…
Interband absorption and luminescence of quasi-two-dimensional, circularly symmetric, N_e electron quantum dots are studied at high magnetic fields, 8<B<60 T, and low temperatures, T<<2 K. In the N_e=0 and 1 dots, the initial and final…
Equilibrium adsorption of disk-like particles on patterned adhesive surfaces is studied using Monte Carlo simulations. The surface is represented as a two-dimensional plane with circular adhesive domains arranged either regularly or…
We study numerically the optical properties of low-buckled silicene and AB-stacked bilayer graphene quantum dots subjected to an external electric field, which is normal to their surface. Within the tight-binding model, the optical…
The behavior of annealed branched polymers near adsorbing surfaces plays a fundamental role in many biological and industrial processes. Most importantly single stranded RNA in solution tends to fold up and self-bind to form a highly…
We study the adsorption-desorption transition of polyelectrolyte chains onto planar, cylindrical and spherical surfaces with arbitrarily high surface charge densities by massive Monte Carlo computer simulations. We examine in detail how the…
We analyze the density distribution and the adsorption of solvent hard spheres in an annular slit formed by two large solute spheres or a large solute and a wall at close distances by means of fundamental measure density functional theory,…
We develop an analytical model to describe sub-bandgap optical absorption in two-dimensional semiconducting transition metal dichalcogenide (s-TMD) nanoflakes. The material system represents an array of few-layer molybdenum disulfide…
First-principles and semi-empirical tight binding calculations were performed to understand the adsorption of oxygen on the surface of two dimensional (2D) and zigzag stanene nano-ribbons. The intrinsic spin-orbit interaction is considered…
Inelastic electron scattering by the adsorbate covered Pt(100) single crystal surface is studied by Disappearance Potential Spectroscopy and density of states (DOS) calculations. Two peculiar channels of elastic electron consumption are…
We investigate the AC conductivity of binary random impedance networks, with emphasis on its dependence on the ratio of the complex conductances of both phases. We propose an algorithm to determine the conductance of a finite network, in…
We study the competitive irreversible adsorption of a binary mixture of monomers and square-shaped particles of linear size $R$ on the square lattice. With the random sequential adsorption model, we investigate how the jamming coverage and…
We calculate the infrared conductivity tensor of a layered superconductor considering two different order parameter symmetries: strongly anisotropic $s$-wave with line nodes, and pure ($d_{x^2-y^2}$) $d$-wave. The calculations are performed…
Absorption of surface acoustic waves by a two-dimensional electron gas in a perpendicular magnetic field is considered. The structure of such system at the filling factor $\nu$ close to 1/2 can be understood as a gas of {\em composite…
Density-functional calculations on the polar TiX(111) (X = C, N) surfaces show (i) for clean surfaces, strong Ti3d-derived surface resonances (SR's) at the Fermi level and X2p-derived SR's deep in the upper valence band and (ii) for adatoms…
The adsorption of Ar on substrates of Li is investigated within the framework of a density functional theory which includes an effective pair potential recently proposed. This approach yields good results for the surface tension of the…
Suspensions of colloidal microplates in contoured 2D elastic fluids sheets are dominated by the bending mechanics and shear rigidity of the plates and the contrasting in-plane shear flow of the 2D fluid. Using the phase separated…
Adsorption of polymers to surfaces is crucial for understanding many fundamental processes in nature. Recent experimental studies indicate that the adsorption dynamics is dominated by non-equilibrium effects. We investigate the adsorption…
The large tunability of band gaps and optical absorptions of armchair MoS$_2$ nanoribbons of different widths under bending is studied using density functional theory and many-body perturbation GW and Bethe-Salpeter equation approaches. We…