Search results for "Spectroscopy"
showing 10 items of 10293 documents
On the impact of side methyl groups on the structure and vibrational properties of β-carotenoids. The case of butadiene and isoprene
2021
Abstract Theoretical consideration about the impact of methyl groups on the structure and vibrational properties of β-carotenoids, using medium size molecules of trans-butadiene and trans-isoprene, are reported. Density functional theory (DFT) calculations with correlation-consistent and polarization-consistent basis sets were applied to trans-1,3-butadiene and trans-isoprene as the smallest building bricks of β-carotenoids. Their structure and harmonic vibrations were estimated in the complete basis set limit (CBS) using the non-linear least square fit. Optimized geometries and harmonic frequencies, obtained with B3LYP and BLYP density functionals and large basis sets, were favorably repro…
Impedance analysis of perovskite solar cells: a case study
2019
Metal halide perovskites are mixed electronic-ionic semiconductors with an extraordinary rich optoelectronic behavior and the capability to function very efficiently as active layers in solar cells, with a record efficiency surpassing 23% nowadays. In this work, we carry out an impedance spectroscopy analysis of two perovskite solar cells with quite distinct optical and electrical characteristics, i.e. MAPbI3 and CsPbBr3-based devices. The main aim of the analysis is to establish how, regardless the inherent complexity of the impedance spectrum due to ionic effects, information like ideality factors, recombination losses and the collection efficiency can be qualitative and quantitatively as…
N2-, O2- and air-broadened half-widths and line shifts for transitions in the nu3 band of methane in the 2726- to 3200-cm-1 spectral region
2008
International audience; Complex Robert-Bonamy calculations of the pressure-broadened half-width and the pressure-induced line shift are made for some 4000 transitions in the [nu]3 band of methane with N2, O2, and air as the perturbing gases. This work focuses on A and F symmetry transitions in the spectral range 2726 to 3200 cm-1. More work is needed on the intermolecular potential before calculations can be made for the E-symmetry transitions. The calculations are made at 225 and 296 K in order to determine the temperature dependence of the half-width. The calculations are compared with measurements. These data are to support remote sensing of the Earth and Titan atmospheres.
Spectroscopic studies of Tl containing high frequency electrodeless lamps
2014
In this work we estimate gas temperature from OH rotational spectrum at 306.4 nm and C 2 Swan band at 516.5 nm in thallium containing lamps during two working regimes: stable generation and self-modulation regime. The usage of both molecules allowed us to estimate gas temperature in different zones of the discharge. The measurement results show that the central part of discharge has temperature higher for about 400 K than in vicinity of lamp inner walls. The measurement results of self-modulation regime showed that rotational temperature variations are similar to that of atomic and molecular spectral line intensities with period being around 1 minute. More detailed analysis of temporal beha…
Graphical analysis of electrochemical impedance spectroscopy of two consecutive irreversible electron transfers. 2. Zinc anodic dissolution in acid m…
2006
The graphical analysis of the impedance plots is used in the study of the electrodic systems that take place through two consecutive single electron transfers. The zinc anodic dissolution is studied by using this procedure. The characteristic points easily allow us to explain and to simulate the impedance behavior of this electrodic system according to the steady-state potential and the roughness of the working electrode. The direct procedure for parametrical identification from the graphical analysis allows us to reduce the time needed for an impedance experiment. This graphical analysis is suggested for studying thin coated galvanized steels.
Layer-by-layer identification of copper alteration products in metallic works of art using the voltammetry of microparticles.
2010
An in situ technique for layer-by-layer electrochemical analysis of solid surfaces using the voltammetry of microparticles is presented. The method is based on the determination of several shape-dependent parameters for voltammetric curves recorded at a graphite pencil working electrode in contact with the sample, all immersed into aqueous electrolytes. Repetitive square wave voltammetry and sequential application of constant potential reductive steps and voltammetric scans yield discernible responses for the corrosion products distributed in stratified layers on metal-based surfaces. This methodology is applied to identify alteration products of copper and copper alloys distributed in diff…
Correlationship between microscopic observations and electrochemical behaviour of different kind of galvanized steel.
2005
Zinc anodic dissolution has been studied according to the steel galvanized method by means of the electrochemical impedance spectroscopy (EIS) and microscopic observations. Relevant information on the galvanized method is provided by the analysis of experimental data. The galvanized method has no influence on the kinetics parameters of the zinc anodic dissolution process. The galvanized method only changes the surface texture of the working electrode. Thus, the EIS fitting allows to calculate the fractal dimension of the surface of the working electrode.
Correlation between the fractal dimension of the electrode surface and the EIS of the zinc anodic dissolution for different kinds of galvanized steel
2004
The roughness of the working electrode is one of the factors that affects the electrochemical impedance spectroscopy (EIS) data of the zinc anodic dissolution process. The fractal dimension of digital images of shooping plate, hot dip galvanized steel, continuous hot-dipped galvanized steel and electro-galvanized steel are related with their respective EIS data. Keywords: EIS, Fractal dimension, Roughness, Galvanized steel, Corrosion
Tracking Changes in Frontal Lobe Hemodynamic Response in Individual Adults With Developmental Language Disorder Following HD tDCS Enhanced Phonologic…
2020
Background: Current research suggests a neurobiological marker of developmental language disorder (DLD) in adolescents and young adults may be an atypical neural profile coupled with behavioral performance that overlaps with that of normal controls. Although many imaging techniques are not suitable for the study of speech and language processing in DLD populations, fNIRS may be a viable option. In this study we asked if fNIRS can be used to identify atypical cortical activation patterns in individual adults with DLD and track potential changes in cortical activation patterns following a phonological working memory training protocol enhanced with anodal HD tDCS stimulation to the presuppleme…
The Wide Field Imager of the International X-ray Observatory
2010
The International X-ray Observatory (IXO) will be a joint X-ray observatory mission by ESA, NASA and JAXA. It will have a large effective area (3 m 2 at 1.25 keV) grazing incidence mirror system with good angular resolution (5 arcsec at 0.1–10 keV) and will feature a comprehensive suite of scientific instruments: an X-ray Microcalorimeter Spectrometer, a High Time Resolution Spectrometer, an X-ray Polarimeter, an X-ray Grating Spectrometer, a Hard X-ray Imager and a Wide-Field Imager. The Wide Field Imager (WFI) has a field-of-view of 18 ft � 18 ft. It will be sensitive between 0.1 and 15 keV, offer the full angular resolution of the mirrors and good energy resolution. The WFI will be imple…