Search results for "atomic"
showing 10 items of 27529 documents
Photoelectron emission experiments with ECR-driven multi-dipolar negative ion plasma source
2017
Photoelectron emission measurements have been performed using a 2.45 GHz ECR-driven multi-dipolar plasma source in a low pressure hydrogen discharge. Photoelectron currents induced by light emitted from ECR zone and H− production region are measured from Al, Cu, Mo, Ta, and stainless steel (SAE 304) surfaces as a function of microwave power and neutral hydrogen pressure. The total photoelectron current from the plasma chamber wall is estimated to reach values up to 1 A for 900 W of injected microwave power. It is concluded that the volumetric photon emission rate in wavelength range relevant for photoelectron emission is a few times higher in arc discharge. peerReviewed
VUV emission spectroscopy combined with H- density measurements in the ion source Prometheus I
2016
“Prometheus I” is a volume H− negative ion source, driven by a network of dipolar electron cyclotron resonance (ECR; 2.45 GHz) modules. The vacuum-ultraviolet (VUV) emission spectrum of low-temperature hydrogen plasmas may be related to molecular and atomic processes involved directly or indirectly in the production of negative ions. In this work, VUV spectroscopy has been performed in the above source, Prometheus I, both in the ECR zones and the bulk (far from ECR zones and surfaces) plasma. The acquired VUV spectra are correlated with the negative ion densities, as measured by means of laser photodetachment, and the possible mechanisms of negative ion production are considered. The well-e…
Kohn-Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory An Efficient Tool for Analyzing Plasmonic Excitations
2017
The real-time-propagation formulation of time-dependent density-functional theory (RT-TDDFT) is an efficient method for modeling the optical response of molecules and nanoparticles. Compared to the widely adopted linear-response TDDFT approaches based on, e.g., the Casida equations, RT-TDDFT appears, however, lacking efficient analysis methods. This applies in particular to a decomposition of the response in the basis of the underlying single-electron states. In this work, we overcome this limitation by developing an analysis method for obtaining the Kohn-Sham electron-hole decomposition in RT-TDDFT. We demonstrate the equivalence between the developed method and the Casida approach by a be…
Self-Consistent Charge Density-Functional Tight-Binding Parametrization for Pt–Ru Alloys
2017
We present a self-consistent charge density-functional tight-binding (SCC-DFTB) parametrization for PtRu alloys, which is developed by employing a training set of alloy cluster energies and forces obtained from Kohn-Sham density-functional theory (DFT) calculations. Extensive simulations of a testing set of PtRu alloy nanoclusters show that this SCC-DFTB scheme is capable of capturing cluster formation energies with high accuracy relative to DFT calculations. The new SCC-DFTB parametrization is employed within a genetic algorithm to search for global minima of PtRu clusters in the range of 13-81 atoms and the emergence of Ru-core/Pt-shell structures at intermediate alloy compositions, consi…
A Self-Consistent Charge Density-Functional Tight-Binding Parameterization for Pt-Ru Alloys
2017
We present a self-consistent charge density-functional tight-binding (SCC-DFTB) parametrization for PtRu alloys, which is developed by employing a training set of alloy cluster energies and forces obtained from Kohn–Sham density-functional theory (DFT) calculations. Extensive simulations of a testing set of PtRu alloy nanoclusters show that this SCC-DFTB scheme is capable of capturing cluster formation energies with high accuracy relative to DFT calculations. The new SCC-DFTB parametrization is employed within a genetic algorithm to search for global minima of PtRu clusters in the range of 13–81 atoms and the emergence of Ru-core/Pt-shell structures at intermediate alloy compositions, consi…
Noncovalent axial I∙∙∙Pt∙∙∙I interactions in platinum(II) complexes strengthen in the excited state
2021
Abstract Coordination compounds of platinum(II) participate in various noncovalent axial interactions involving metal center. Weakly bound axial ligands can be electrophilic or nucleophilic; however, interactions with nucleophiles are compromised by electron density clashing. Consequently, simultaneous axial interaction of platinum(II) with two nucleophilic ligands is almost unprecedented. Herein, we report structural and computational study of a platinum(II) complex possessing such intramolecular noncovalent I⋅⋅⋅Pt⋅⋅⋅I interactions. Structural analysis indicates that the two iodine atoms approach the platinum(II) center in a “side‐on” fashion and act as nucleophilic ligands. According to c…
High-resolution laser spectroscopy of long-lived plutonium isotopes
2017
Long-lived isotopes of plutonium were studied using two complementary techniques, high-resolution resonance ionisation spectroscopy (HR-RIS) and collinear laser spectroscopy (CLS). Isotope shifts have been measured on the $5f^67s^2\ ^7F_0 \rightarrow 5f^56d^27s\ (J=1)$ and $5f^67s^2\ ^7F_1 \rightarrow 5f^67s7p\ (J=2)$ atomic transitions using the HR-RIS method and the hyperfine factors have been extracted for the odd mass nuclei $^{239,241}$Pu. Collinear laser spectroscopy was performed on the $5f^67s\ ^8F_{1/2} \rightarrow J=1/2\; (27523.61\text{cm}^{-1})$ ionic transition with the hyperfine $A$ factors measured for $^{239}$Pu. Changes in mean-squared charge radii have been extracted and s…
Coroideremia: seguimiento durante un año con polarimetría láser
2008
espanolCaso clinico: Presentamos el seguimiento de un caso de coroideremia que fue sometido a tres campos visuales automatizados blanco-blanco y tres polarimetrias laser (PL) con GDx VCC en el transcurso de un ano. Se encontro un deterioro perimetrico en indices y escotomas. En concordancia, los parametros de retardo de la capa de fibras nerviosas de la retina y los mapas cambiaron en un analisis serial avanzado con GDx VCC en los dos ojos. Discusion: El analisis con GDx VCC puede ser un metodo objetivo y cuantitativo para evaluar la progresion de las distrofias coriorretinianas como la coroideremia. EnglishCase report: We report the follow-up of a case of choroideremia who underwent three …
Effects of Polyacrylic Acid Pre-Treatment on Bonded-Dentine Interfaces Created with a Modern Bioactive Resin-Modified Glass Ionomer Cement and Subjec…
2018
Objectives: Resin-modified glass ionomer cements (RMGIC) are considered excellent restorative materials with unique therapeutic and anti-cariogenic activity. However, concerns exist regarding the use of polyacrylic acid as a dentine conditioner as it may influence the bonding performance of RMGIC. The aim of this study was to evaluate the effect of different protocols for cycling mechanical stress on the bond durability and interfacial ultramorphology of a modern RMGIC applied to dentine pre-treated with/without polyacrylic acid conditioner (PAA). Methods: The RMGIC was applied onto human dentine specimens prepared with silicon-carbide (SiC) abrasive paper with or without the use of a PAA c…
Realization of polyaspartamide-based nanoparticles and in vivo lung biodistribution evaluation of a loaded gucocorticoid after aerosolization in mice
2016
Abstract In this study, novel polymeric nanoparticles (NPs) were developed and their potential as carriers for beclomethasone dipropionate (BDP) into the lung after aerosolization was demonstrated by in vivo studies in mice. In particular, these NPs were obtained starting from two polyaspartamide-based copolymers which were synthesized by chemical reaction of α,β-poly(N-2-hydroxyethyl)- dl -aspartamide (PHEA) and its pegylated derivative (PHEA-PEG2000) with poly(lactic acid) (PLA). To obtain nanosized particles, the high pressure homogenization (HPH)—solvent evaporation method was followed by using an organic phase containing both PHEA-PLA and PHEA-PEG2000-PLA (at a weight ratio equal to 1:…