Search results for "Clusters"
showing 10 items of 1274 documents
Photoionization of adsorbates on sites with non-axial local symmetry. An example of the symmetry group
1996
We present an analysis of the influence of the local adsorption site symmetry on the angular distribution of photoelectrons ejected from adsorbed atoms or molecules. This analysis applies to photoelectron spectra obtained with photons of any energy in the VUV (photoelectron spectroscopy) or x-ray (XPS) regions, provided that the associated wave of the electron `sees' the neighbouring surface atoms. The adsorbate - substrate system is modelled by a cluster of symmetry group consisting of an adsorbate and several atoms of the substrate. The analysis applies also to clean surfaces of symmetry and to molecules of the symmetry group fixed in space. This local symmetry analysis is an alternative …
Upconversion luminescence of a transparent glass ceramics with hexagonal Na(Gd,Lu)F4 nanocrystals
2017
Novel Er3+ doped transparent glass ceramics containing hexagonal Na(Gd,Lu)F4 nanocrystals were prepared from oxyfluoride glasses. The distribution of rare earth ions in the crystalline and glassy phase has been analyzed by X-ray diffraction and erbium luminescence decay kinetics measurement. A strong deviation of rare earth ion content in fluoride nanocrystals in comparison to the base glass has been observed. Preferential incorporation of Gd3+ over Lu3+ ions in the fluoride lattice leads to the stabilization of hexagonal Na(Gd,Lu)F4 structure and prevents the formation of cubic fluorite type solid solutions. A considerable enhancement of upconversion luminescence correlates with the format…
Tunable light emission by exciplex state formation between hybrid halide perovskite and core/shell quantum dots: Implications in advanced LEDs and ph…
2016
A perovskite–quantum dot exciplex has been detected, opening a broad range of possibilities for advanced optoelectronic devices.
Hybrid functional study of structural, electronic and magnetic properties of S-doped ZnO with and without neutral vacancy
2013
Abstract The structural and electronic properties of S-doped ZnO are investigated by density functional theory (DFT) and empirical pseudopotential method (EPM). Using the Heyd–Scuseria–Ernzerhof (HSE) hybrid functional with an adjusted mixing coefficient α , we obtain a good agreement on lattice parameters and band gap energy with the available experimental data. We have also investigate the Zn-vacancy effects on the electronic and magnetic properties of S-doped ZnO. Our calculations demonstrate that S impurity prefers to be close to the cation vacancy in the apical position. The magnetic analysis with the HSE functional shows a triplet state character with a total magnetic moment of 1.81 μ…
Controlling the anisotropy of a van der Waals antiferromagnet with light
2020
Ultrafast optical control of magnetic anisotropy in a van der Waals antiferromagnet activates a sub-THz two-dimensional magnon.
Surface Chemistry Controls Magnetism in Cobalt Nanoclusters
2016
Magnetic properties of Co13 and Co55 nanoclusters, passivated by surface ligand shells that exhibit varying electronic interactions with the metal, are studied using density functional theory. The calculations show that the chemical nature of the bond between the ligand and the metal core (X-type or L-type) impacts the total magnetic moment of Co nanoclusters dramatically. Furthermore, the chemical identity of the ligand within each binding motif then provides a fine handle on the exhibited magnetic moment of the cluster. Thus, ligand shell chemistry is predicted to not only stabilize Co nanoclusters, but provide a powerful approach to control their magnetic properties, which combined enabl…
In-hospital death and adverse clinical events in elderly patients according to disease clustering: The REPOSI study
2010
OBJECTIVE: The aim of the study was to recognize clusters of diseases among hospitalized elderly and to identify groups of patients at risk of in-hospital death and adverse clinical events according to disease clustering. METHOD: This was a cross-sectional study conducted in 38 internal medicine and geriatric wards in Italy participating in the Registro Politerapie SIMI (REPOSI) study during 2008. The subjects were 1,332 inpatients aged 65 years or older. Clusters of diseases (i.e., two or more co-occurrent diseases) were identified using the odds ratios (OR) for the associations between pairs of conditions, followed by cluster analysis. Logistic regression models were used to evaluate the …
Limited cross-border infections in patients newly diagnosed with HIV in Europe
2013
Background: International travel plays a role in the spread of HIV-1 across Europe. It is, however, not known whether international travel is more important for spread of the epidemic as compared to endogenous infections within single countries. In this study, phylogenetic associations among HIV of newly diagnosed patients were determined across Europe.Results: Data came from the SPREAD programme which collects samples of newly diagnosed patients that are representative for national HIV epidemics. 4260 pol sequences from 25 European countries and Israel collected in 2002-2007 were included.We identified 457 clusters including 1330 persons (31.2% of all patients). The cluster size ranged bet…
Global burden of 87 risk factors in 204 countries and territories, 1990–2019: a systematic analysis for the Global Burden of Disease Study 2019
2020
Background Rigorous analysis of levels and trends in exposure to leading risk factors and quantification of their effect on human health are important to identify where public health is making progress and in which cases current efforts are inadequate. The Global Burden of Diseases, Injuries, and Risk Factors Study (GBD) 2019 provides a standardised and comprehensive assessment of the magnitude of risk factor exposure, relative risk, and attributable burden of disease. Methods GBD 2019 estimated attributable mortality, years of life lost (YLLs), years of life lived with disability (YLDs), and disability-adjusted life-years (DALYs) for 87 risk factors and combinations of risk factors, at the…
Global and regional burden of disease and injury in 2016 arising from occupational exposures: a systematic analysis for the Global Burden of Disease …
2020
ObjectivesThis study provides an overview of the influence of occupational risk factors on the global burden of disease as estimated by the occupational component of the Global Burden of Disease (GBD) 2016 study.MethodsThe GBD 2016 study estimated the burden in terms of deaths and disability-adjusted life years (DALYs) arising from the effects of occupational risk factors (carcinogens; asthmagens; particulate matter, gases and fumes (PMGF); secondhand smoke (SHS); noise; ergonomic risk factors for low back pain; risk factors for injury). A population attributable fraction (PAF) approach was used for most risk factors.ResultsIn 2016, globally, an estimated 1.53 (95% uncertainty interval 1.39…