Related papers: Adsorbate-induced substrate relaxation and the ads…
By means of contact-density chain-growth simulations, we investigate a simple lattice model of a flexible polymer interacting with an attractive substrate. The contact density is a function of the numbers of monomer-substrate and…
We study the adhesive contact between elastic solids with randomly rough, self affine fractal surfaces. We present molecular dynamics (MD) simulation results for the interfacial stress distribution and the wall-wall separation. We compare…
The effects of visible and infrared light on potassium atoms embedded in a nanoporous glass matrix are investigated. Photodesorption by visible light enhances the atomic mobility and causes the formation of metallic nanoparticles. Two…
Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps to carburization of metal. Here, we use density functional theory total energy calculations with the climbing-image nudged elastic band method to…
Two-dimensional (2D) metal-organic frameworks (MOFs) in a kagome lattice can exhibit strong electron-electron interactions, which can lead to tunable quantum phases including many exotic magnetic phases. While technological developments of…
The normal modes of a commensurate monolayer solid may be damped by mixing with elastic waves of the substrate. This was shown by B. Hall et al., Phys. Rev. B 32, 4932 (1985), for perpendicular adsorbate vibrations in the presence of an…
We study the effects of generalised surface disorder on the monomer-monomer model of heterogeneous catalysis, where disorder is implemented by allowing different adsorption rates for each lattice site. By mapping the system in the…
Motion of chemically driven droplets is analyzed by applying a solvability condition of perturbed hydrodynamic equations affected by the adsorbate concentration. Conditions for traveling bifurcation analogous to a similar transition in…
A theoretical approach for a non-perturbative dynamical description of two interacting atoms in an optical lattice potential is introduced. The approach builds upon the stationary eigenstates found by a procedure described in Grishkevich et…
We analyze the dynamics of ultracold atoms in optical lattices induced by a sudden shift of the underlying harmonic trapping potential. In order to study the effect of strong interactions, dimensionality and lattice topology on transport…
How many times a diffusing molecule can permeate across a membrane or be adsorbed on a substrate? We employ the encounter-based approach to find the statistics of adsorption or permeation events for molecular diffusion in a general…
The Kondo effect is a many-body phenomenon allowing insight into the electronic and atomistic structure of spin-polarized adsorbates on metal surfaces. Its chemical control is intriguing because it deepens such insight, but the underlying…
Chemical reactions on metal surfaces are important in various processes such as heterogeneous catalysis and nanostructure growth. At moderate or lower temperatures, these reactions generally follow the minimum energy path and temperature…
The dynamics of desorption from a submonolayer of adsorbed atoms or ions are significantly influenced by the absence or presence of lateral diffusion of the adsorbed particles. When diffusion is present, the adsorbate configuration is…
A key challenge in performing experiments with microparticles is controlling their adhesion to substrates. For example, levitation of a microparticle initially resting on a surface requires overcoming the surface adhesion forces to deliver…
A theory of Kondo lattices is developed for the t-J model on a square lattice. The spin susceptibility is described in a form consistent with a physical picture of Kondo lattices: Local spin fluctuations at different sites interact with…
The statistical thermodynamics of polyatomic species mixtures adsorbed on two-dimensional substrates was developed on a generalization in the spirit of the lattice-gas model and the classical Guggenheim-DiMarzio approximation. In this…
The decay of an excited atom in the presence of a medium that both scatters and absorbs radiation is studied with the help of a quantum-electrodynamical model. The medium is represented by a half space filled with a randomly distributed set…
We investigate the Casimir-Polder interaction between two atoms one of which is excited. We show that the perturbation theory results in divergence of integrals for the interaction between an excited atom and a media of dilute gas. We…
We study the adsorption of homogeneous or heterogeneous polymers onto heterogeneous planar surfaces with exponentially decaying site-site correlations, using a variational reference system approach. As a main result, we derive simple…