Search results for "Clusters"

Adsorption and diffusion of a molybdenum atom on theTiO2(110)surface: A first-principles study

2007

A study on the structure and energetics of a single molybdenum atom adsorbed on the $\mathrm{Ti}{\mathrm{O}}_{2}(110)$ surface is reported. All possible adsorption sites have been determined. Moreover, it is found that incorporation of the Mo atom into the first surface layer leads to considerably more stable structures than on any adsorption site. Different channels for migration of the molybdenum atom have been identified. The diffusion barriers of these channels have been determined. The results on structure and energetics are discussed by analyzing the electronic properties of the $\mathrm{Mo}∕\mathrm{Ti}{\mathrm{O}}_{2}(110)$ systems.

Effects of Crystal Field Splitting and Surface Faceting on the Electronic Shell Structure

1992

The shell structure of the valence electrons is clearly observed in all alkali and noble metal clusters containing up to hundreds of atoms[1 – 4]. It is seen in the abundances of the clusters, in the ionization potential and in the polarizability. The shell structure of the valence electrons is closely related to the shell model of nuclei, but is simpler owing to the negligibly small spin-orbit interaction. The ability to produce all sizes of metal clusters has made the metal clusters a test ground for the super-shell structure[5].

Atomic and Electronic Structure of the Corundum (0001) Surface

1996

AbstractThe electronic structure and geometry of the Al terminated corundum (0001) surface were studied using a slab model within the ab-initio Hartree-Fock technique. The distance between the top Al plane and the next O basal plane is found to be considerably reduced on relaxation (by 0.57 Å, i.e. by 68% of the corresponding interlayer distance in the bulk). An interpretation of experimental photoelectron spectra (UPS Hel) and metastable impact electron spectra (MIES) is given. Calculated projected densities of states exhibit a strong dependence on the relaxation of surface atoms.

Shell structure in large nonspherical metal clusters.

1992

Electronic shell structure of icosahedral and cuboctahedral sodium clusters with 300 to 1500 atoms has been studied using a potential-well approximation for the effective one-electron potential. The results show that icosahedral clusters yield the same shell structure as spherical clusters up to the cluster size of about 500 atoms and that similarities persist until the cluster has about 1000 atoms. The shell structure of a cuboctahedral geometry begins to deviate from that of a sphere when the cluster size is about 100. A study on quadrupole deformations of large clusters shows that surface fluctuations in liquid clusters cannot destroy the shell structure even in the largest clusters.

Fluorinated Fullerene Molecule on Cu(001) Surface as a Controllable Source of Fluorine Atoms

2018

A coverage-dependent growth of well-ordered copper halogenide structures as a result of fluorinated fullerene molecule adsorption on Cu(001) surface has been studied by means of scanning tunneling ...

Near-surface defect profiling with slow positrons: Argon-sputtered Al(110).

1985

We report on slow-positron measurements of atomic defect distribution near a solid surface. Defects are produced by argon-ion bombardment of an Al(110) surface in ultrahigh vacuum. Defect profiles have a typical width of 15–25 Å and contain a broader tail extending to 50–100 Å. The defect density at the outermost atomic layers saturates at high argon fluences to a few atomic percent, depending on sputtering conditions. Defect production rate at >1 keV Ar+ energies is typically 1–5 vacancy-interstitial pairs per incident ion. Molecular-dynamics simulations of the collision cascade predict similar defect distributions. Peer reviewed

Dispersive interactions between atoms and nonplanar surfaces

2009

We calculate the dispersive force between a ground state atom and a non planar surface. We present explicit results for a corrugated surface, derived from the scattering approach at first order in the corrugation amplitude. A variety of analytical results are derived in different limiting cases, including the van der Waals and Casimir-Polder regimes. We compute numerically the exact first-order dispersive potential for arbitrary separation distances and corrugation wavelengths, for a Rubidium atom on top of a silicon or gold corrugated surface. We discuss in detail the inadequacy of the proximity force approximation, and present a simple but adequate approximation for computing the potentia…

Hybrid chalcogenide nanoparticles: 2D-WS2 nanocrystals inside nested WS2 fullerenes.

2013

The MOCVD assisted formation of nested WS2 inorganic fullerenes (IF-WS2) was performed by enhancing surface diffusion with iodine, and fullerene growth was monitored by taking TEM snapshots of intermediate products. The internal structure of the core–shell nanoparticles was studied using scanning electron microscopy (SEM) after cross-cutting with a focused ion beam (FIB). Lamellar reaction intermediates were found occluded in the fullerene particles. In contrast to carbon fullerenes, layered metal chalcogenides prefer the formation of planar, plate-like structures where the dangling bonds at the edges are stabilized by excess S atoms. The effects of the reaction and annealing temperatures o…

Surfactant self-assembling in gas phase: positively monocharged sodium alkanesulfonate clusters

2009

The REFLEX galaxy cluster survey VIII. Spectroscopic observations and optical atlas

2009

We present the final data from the spectroscopic survey of the ROSAT-ESO Flux-Limited X-ray (REFLEX) catalog of galaxy clusters. The REFLEX survey covers 4.24 steradians (34% of the entire sky) below a declination of 2.5 deg and at high Galactic latitude (|b| > 20 deg). The REFLEX catalog includes 447 entries with a median redshift of 0.08 and is better than 90% complete to a limiting flux fx = 3x10^{-12} erg s^{-1} cm^{-2} (0.1 to 2.4 keV), representing the largest statistically homogeneous sample of clusters drawn from the ROSAT All-Sky Survey (RASS) to date. Here we describe the details of the spectroscopic observations carried out at the ESO 1.5 m, 2.2 m, and 3.6 m telescopes, as wel…