Related papers: Island morphology and adatom self-diffusion on Pt(…
We study one-dimensional models of particle diffusion and attachment/detachment from islands where the detachment rates gamma(m) of particles at the cluster edges increase with cluster mass m. They are expected to mimic the effects of…
Motivated by recent research of Nikitin et al. (J.Phys.D vol. 49, 055301(2009)), we examine the effects of interatomic interactions on adatom surface diffusion. By using a mean-field approach in the random walk problem, we derive a…
We develop a theory for nucleation on top of islands in epitaxial growth based on the derivation of lifetimes and rates governing individual microscopic processes. These processes are strongly affected by the additional step edge barrier…
Using density-functional theory with the local-density approximation and the generalized gradient approximation we compute the energy barriers for surface diffusion for Ag on Pt(111), Ag on one monolayer of Ag on Pt(111), and Ag on Ag(111).…
Single layer graphene islands with a typical diameter of several nanometers were grown on a Pt (111) substrate. Scanning tunneling microscopy (STM) analysis showed most of islands are hexagonally shaped and the zigzag-type edge predominates…
TiO2 is a technologically important material. In particular, its anatase polymorph plays a major role in photocatalysis, which can also accommodate charged and neutral vacancies. There is, however, scant theoretical work on the vacancy…
The interactions between water and hydroxyl species on Pt(111) surfaces have been intensely investigated due to their importance to fuel cell electrocatalysis. Here we present a room temperature molecular dynamics study of their structure…
The stress-induced lattice changes in a p(1x2) ordered oxygen layer on W(110) are measured by low-energy electron diffraction. We have observed that small oxygen islands show a mismatch with the underlying lattice. Our results indicate that…
The epitaxial growth process of a high symmetry surface occurs because adatoms meet and nucleate new islands, that eventually coalesce and complete atomic layers. During multilayer growth, nucleation usually takes place on top of terraces…
This paper investigates faceting mechanisms induced by electromigration in the regime where atomic steps are transparent. For this purpose we study several vicinal orientations by means of in-situ (optical diffraction, electronic…
The role of step edge diffusion (SED) in epitaxial growth is investigated. To this end we revisit and extend a recently introduced simple cubic solid-on-solid model, which exhibits the formation and coarsening of pyramid or mound like…
Effect of an anisotropic detachment on a heteroepitaxial island shape is studied by means of a kinetic Monte Carlo simulation of a square lattice gas model. Only with molecular deposition followed by surface diffusion, islands grow in a…
Receptor-mediated endocytosis requires that the energy of adhesion overcomes the deformation energy of the plasma membrane. The resulting driving force is balanced by dissipative forces, leading to deterministic dynamical equations. While…
We show that adsorbates on surfaces can form islands even if there are no attractive interactions. Instead strong repulsion between adsorbates at short distances can lead to islands, because such islands increase the entropy of the…
We report total-energy calculations based on the density-functional theory that clarify microscopic mechanisms of initial stage of graphene formation on the SiC(0001) surface. We explore favorable reactions for desorption of either Si or C…
The potential energy surface (PES) of dissociative adsorption of H_2 on Pd(100) is investigated using density functional theory and the full-potential linear augmented plane wave (FP-LAPW) method. Several dissociation pathways are…
We investigate the growth kinetics on vicinal GaAs(001) surfaces by making detailed comparisons between reflection high--energy electron--diffraction specular intensity measured near in--phase diffraction conditions and the surface step…
Atoms or pairs of ions picked up by probe tips used in dynamic force microscopy (DFM) can be strongly displaced and even hop discontinuously upon approach to the sample surface. The energy barriers for some of those hops are of the right…
Oxygen adsorption on delta-Pu (100) and (111) surfaces have been studied at both non-spin-polarized and spin-polarized levels using the generalized gradient approximation of density functional theory (GGA-DFT)with Perdew and Wang…
In low-temperature pulsed growth two-dimensional islands form and coarsen into ~10 nm features. The islands produce well-defined displaced x-ray diffraction peaks due to relaxation of anisotropic surface stress of the (2x1) reconstruction…