Search results for "clusters"
showing 10 items of 1274 documents
Fragmentation of anthracene C14H10, acridine C13H9N and phenazine C12H8N2 ions in collisions with atoms
2014
International audience; We report experimental total, absolute, fragmentation cross sections for anthracene C14H10, acridine C13H9N, and phenazine C12H8N2 ions colliding with He at center-of-mass energies close to 100 eV. In addition, we report results for the same ions colliding with Ne, Ar, and Xe at higher energies. The total fragmentation cross sections for these three ions are the same within error bars for a given target. The measured fragment mass distributions reveal significant contributions from both delayed (≫10−12 s) statistical fragmentation processes as well as non-statistical, prompt (∼10−15 s), single atom knockout processes. The latter dominate and are often followed by sec…
Ag5 nanoclusters with dual catalytic antiradical activities
2022
Silver nanoclusters of five atoms (Ag5) display outstanding catalytic activities for the deactivation of radicals. Using 2,2-diphenyl-1‑picrylhydrazyl (DPPH) radical as a model system, we observed a fast radical reduction to DPPH anions using only [Ag5] 3 to 4 orders of magnitude less than [DPPH]. Moreover, nanoclusters remain stable at the end of the reaction, and can deactivate again DPPH radicals at the same rate, indicating that they act as anti-radical catalysts. The radical scavenger catalytic activity of Ag5 proceeds selectively through the oxidation of methanol (used to dissolve the radical) to formaldehyde, which is supported by DFT calculations. The obtained catalytic rate constan…
Preparation of nanostructures composed of dextran sulfate/ruthenium nanoparticles and their interaction with phospholipid monolayers at a liquid–liqu…
2007
Abstract Nanostructures composed of dextran sulfate (DS)/ruthenium (Ru) nanoparticles (NPs) adsorbed on phospholipid monolayers at a liquid–liquid interface were prepared and characterized electrochemically in relation to their potential use in drug delivery systems. First, positively charged Ru NPs were prepared, and then negatively charged DS was adsorbed on the surface of the NPs, thus forming well-defined and organized structures, as observed under the transmission electron microscope, which are referred to composite nanoclusters. The lipid monolayers were formed by depositing either 1-palmitoyl-2-oleoyl- sn -glycero-3-phosphatidylcholine or 1-palmitoyl-2-oleoyl- sn -glycero-3-phospho- …
Semiclassical Methods for the Description of Large Metal Clusters
1996
One of the most fascinating aspects of clusters is that they can be made arbitrarily large and therefore provide links between the microscopic and the macroscopic world. It is challenging to study how their physical properties change when going from atoms and small molecules to the bulk limit of condensed matter. But also the models and mathematical tools themselves, which are used in order to tackle the many-body problem, are an object of study for the theoretician. In particular, the question of how far quantum-mechanics must be carried with increasing size and where classical pictures become appropriate is of great interest. In this spirit, we discuss here some semiclassical methods for …
Influence of annealing atmosphere on photoelectrochemical response of TiO2 nanotubes anodized under controlled hydrodynamic conditions
2021
[EN] The influence of three annealing atmospheres (air, nitrogen and argon) and the use of controlled hydrodynamic conditions (from 0 to 5000 rpm) on morphological, structural, chemical and photoelectrochemical properties of TiO2 nanotubes have been evaluated. For this purpose, different characterization techniques have been used: Field Emission Scanning Electron Microscopy, Raman Confocal Laser Spectroscopy, X-Ray Diffraction, X-Ray Photoelectron Spectroscopy, Incident Photon-to-electron Conversion Efficiency measurements, ultraviolet-visible absorption spectra, Mott-Schottky analysis and photoelectrochemical water splitting tests. According to the results, it can be concluded that both hy…
Raman spectroscopy and high-overtone driven isomerization of glyoxylic acid in solid argon
2013
High-overtone induced chemistry of glyoxylic acid isolated in a low-temperature argon matrix was investigated using Raman spectroscopy. The Raman spectra of two most stable conformers of glyoxylic acid are presented. Upon excitation in high overtone vibrational bands by 532 nm irradiation of the lowest energy conformer most abundant in neat deposited sample, the isomerization of glyoxylic acid was observed. The process most plausible proceeds via absorption into the fifth vibrational overtone state of the OH group or its combination with the torsional vibrational transition. The assignment of the fundamental vibrational spectra was assisted by quantum chemical harmonic and anharmonic vibrat…
Modeling of Point Defects in Corundum Crystals
1994
Several different approaches including Hartree-Fock ab initio cluster calculations, semiempirical INDO calculations, and atom-atom potentials were used for modeling of the spatial and electronic structure as well as migration mechanisms of both intrinsic defects (self-trapped and defect-trapped holes, O and Al vacancies) and impurities (transition-metal ions like Co, Fe, Mg, Mn, Ti). The atomic structure of all hole centers is found to be similar to V[sub K] centers in alkali halides (two-site model); their formation is energetically favorable. The energy required for 60[degree] hole reorientations inside the basic oxygen triangles is found to be similar to both the energy for hops between …
Cosmological parameters degeneracies and non-Gaussian halo bias
2010
We study the impact of the cosmological parameters uncertainties on the measurements of primordial non-Gaussianity through the large-scale non-Gaussian halo bias effect. While this is not expected to be an issue for the standard Lambda CDM model, it may not be the case for more general models that modify the large-scale shape of the power spectrum. We consider the so-called local non-Gaussianity model, parametrized by the f(NL) non-Gaussianity parameter which is zero for a Gaussian case, and make forecasts on f(NL) from planned surveys, alone and combined with a Planck CMB prior. In particular, we consider EUCLID- and LSST-like surveys and forecast the correlations among f(NL) and the runni…
Search for eccentric binary black hole mergers with advanced LIGO and advanced Virgo during their first and second observing runs
2019
When formed through dynamical interactions, stellar-mass binary black holes may retain eccentric orbits ($e>0.1$ at 10 Hz) detectable by ground-based gravitational-wave detectors. Eccentricity can therefore be used to differentiate dynamically-formed binaries from isolated binary black hole mergers. Current template-based gravitational-wave searches do not use waveform models associated to eccentric orbits, rendering the search less efficient to eccentric binary systems. Here we present results of a search for binary black hole mergers that inspiral in eccentric orbits using data from the first and second observing runs (O1 and O2) of Advanced LIGO and Advanced Virgo. The search uses min…
The Gaia-ESO survey: Metallicity of the chamaeleon i star-forming region
2014
Context. Recent metallicity determinations in young open clusters and star-forming regions suggest that the latter may be characterized by a slightly lower metallicity than the Sun and older clusters in the solar vicinity. However, these results are based on small statistics and inhomogeneous analyses. The Gaia-ESO Survey is observing and homogeneously analyzing large samples of stars in several young clusters and star-forming regions, hence allowing us to further investigate this issue. Aims. We present a new metallicity determination of the Chamaeleon I star-forming region, based on the products distributed in the first internal release of the Gaia-ESO Survey. Methods. 48 candidate member…