Search results for "Clusters"
showing 10 items of 1274 documents
Radium ionization scheme development: The first observed autoionizing states and optical pumping effects in the hot cavity environment
2018
© 2018 The Authors This paper reports on resonance ionization scheme development for the production of exotic radium ion beams with the Resonance Ionization Laser Ion Source (RILIS) of the CERN-ISOLDE radioactive ion beam facility. During the study, autoionizing states of atomic radium were observed for the first time. Three ionization schemes were identified, originating from the 7s2 1S0 atomic ground state. The optimal of the identified ionization schemes involves five atomic transitions, four of which are induced by three resonantly tuned lasers. This is the first hot cavity RILIS ionization scheme to employ optical pumping effects. The details of the spectroscopic studies are described …
Jahn–Teller effects in Au25(SR)18
2016
The relationship between oxidation state, structure, and magnetism in many molecules is well described by first-order Jahn–Teller distortions. This relationship is not yet well defined for ligated nanoclusters and nanoparticles, especially the nano-technologically relevant gold-thiolate protected metal clusters. Here we interrogate the relationships between structure, magnetism, and oxidation state for the three stable oxidation states, 1, 0 and +1 of the thiolate protected nanocluster Au25(SR)18. We present the single crystal X-ray structures of the previously undetermined charge state Au25(SR)18+1, as well as a higher quality single crystal structure of the neutral compound Au25(SR)180 . …
Analysis of Localized Surface Plasmon Resonances in Spherical Jellium Clusters and Their Assemblies
2017
Due to multiple possible applications of physico-chemical properties of plasmonic metal nanoparticles and particle systems, there is high interest to understand the mechanisms that underlie the birth of localized surface plasmon resonance (LSPR). Here we studied the birth of the LSPR in spherical jellium clusters with the density of sodium and with 8, 20, 34, 40, 58, 92, 138, and 186 electrons, by using the linear response time-dependent density functional theory (lr-TDDFT). The coupling of the individual plasmon resonances in dimer, trimer, tetramer, and hexamer cluster assemblies consisting of the 8-electron cluster was also studied. The Kohn-Sham electron-hole transitions contributing to…
The ROSAT-ESO Flux Limited X-ray (REFLEX) Galaxy Cluster Survey. V. The cluster catalogue
2004
We present the catalogue of the REFLEX Cluster Survey providing information on the X-ray properties, redshifts, and some identification details of the clusters in the REFLEX sample. The catalogue describes a statistically complete X-ray flux-limited sample of 447 galaxy clusters above an X-ray flux of 3 10(-12) erg /s/cm**2 (0.1 to 2.4 keV) in an area of 4.24 ster in the southern sky. The cluster candidates were first selected by their X-ray emission in the ROSAT-All Sky Survey and subsequently spectroscopically identified in the frame of an ESO key programme. In addition to the cluster catalogue we also describe the complete selection criteria as a function of the sky position and the conv…
CO Oxidation on Cationic Gold Clusters: A Theoretical Study
2008
Aiming at understanding the elementary steps governing the oxidation of CO catalyzed by dispersed or supported gold nanoclusters, the reactivity of molecular species, such as O2 and CO, on neutral and positively charged Au13 clusters have been studied using a DFT approach. Two CO oxidation mechanisms have been simulated, involving respectively the adsorption of CO and O2 on adjacent catalytic sites (two-sites mechanism) and the competitive interaction of the reactants on the same site (single-site mechanism). It is demonstrated that in the former scheme a definite interaction of CO and O2 with both the charged and neutral cluster is effective, but that a chemical reaction between the adsorb…
Etude theorique de la dynamique du réseau de batio en phase quadratique
1999
Abstract The lattice dynamics of barium titanate BaTiO 3 is discussed quantitatively in the framework of a shell model taking into account the electronic polarizabilities of the constituent ions and including Coulomb and short-range interactions. The results of calculations point out the important role of the anisotropic oxygen polarizability. There is a good agreement between calculated and experimental dispersion curves.
Robust, Highly Luminescent Au13 Superatoms Protected by N-Heterocyclic Carbenes
2019
Gold superatom nanoclusters stabilized entirely by N-heterocyclic carbenes (NHCs) and halides are reported. The reduction of well-defined NHC–Au–Cl complexes produces clusters comprised of an icosahedral Au13 core surrounded by a symmetrical arrangement of nine NHCs and three chlorides. X-ray crystallography shows that the clusters are characterized by multiple CH−π and π–π interactions, which rigidify the ligand and likely contribute to the exceptionally high photoluminescent quantum yields observed, up to 16.0%, which is significantly greater than that of the most luminescent ligand-protected Au13 superatom cluster. Density functional theory analysis suggests that clusters are 8-electron …
Measuring orthographic transparency and morphological-syllabic complexity in alphabetic orthographies
2017
This narrative review discusses quantitative indices measuring differences between alphabetic languages that are related to the process of word recognition. The specific orthography that a child is acquiring has been identified as a central element influencing reading acquisition and dyslexia. However, the development of reliable metrics to measure differences between language scripts hasn’t received much attention so far. This paper therefore reviews metrics proposed in the literature for quantifying orthographic transparency, syllabic complexity, and morphological complexity of alphabetic languages. The review included searches of Web of Science, PubMed, PsychInfo, Google Scholar, and var…
The 'terroridiom' principle between spoken and written discourse
2008
This paper focuses on phraseology used within the domain of politics, both in written and spoken discourse. We concentrate on the lemma TERROR and on the recurrent sequences in which it is embedded, reflecting how native speakers, both American and British, tend to use it in preferred environments making routinized blocks of language. The data come from two corpora: the spoken corpus includes speeches of George W. Bush and Tony Blair, and the written corpus is made up of articles from The Wall Street Journal and The Economist. Since text is nothing but phraseology of one kind or another (Sinclair 2008), our attempt here is to uncover which of the two varieties lends itself more willingly to…
Electronic-structure-induced deformations of liquid metal clusters
1995
Ab initio molecular dynamics is used to study deformations of sodium clusters at temperatures $500\cdots 1100$ K. Open-shell Na$_{14}$ cluster has two shape isomers, prolate and oblate, in the liquid state. The deformation is stabilized by opening a gap at the Fermi level. The closed-shell Na$_8$ remains magic also at the liquid state.