Search results for "Emission spectroscopy"
showing 10 items of 180 documents
Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory
2012
We present a time-dependent density-functional method able to describe the photoelectron spectrum of atoms and molecules when excited by laser pulses. This computationally feasible scheme is based on a geometrical partitioning that efficiently gives access to photoelectron spectroscopy in time-dependent density-functional calculations. By using a geometrical approach, we provide a simple description of momentum-resolved photoemission including multiphoton effects. The approach is validated by comparison with results in the literature and exact calculations. Furthermore, we present numerical photoelectron angular distributions for randomly oriented nitrogen molecules in a short near-infrared…
Angular-resolved electron spectroscopy from (110) surfaces of ternary Ce-based intermetallics: CePd2Si2 and CeNi2Ge2
1997
Investigations of electronic properties were carried out for the ternary Ce-based intermetallic systems CeT2X2 (T = Ni, Pd; X = Ge, Si). To produce well-ordered and atomically clean surfaces, preparation is carried out in UHV. The polycrystalline substance was evaporated on a W(110) substrate with subsequent annealing. The single-crystalline layers obtained are characterised by MEED (thickness), AES (surface stoichiometry), LEED and SEM (surface structure). For electron-spectroscopic investigations, ARUPS (angle-resolved photoemission spectroscopy) was used. In the photoemission spectra, dispersion effects could be detected by variation of the detection angle.
MTA HP Repair stimulates in vitro an homogeneous calcium phosphate phase coating deposition
2019
Background To study the mineralization capacity in vitro of the bioceramic endodontic material MTA HP Repair. Material and methods Bioactivity evaluation in vitro was carried out, by soaking processed cement disk in simulated body fluid (SBF) during 168 h. The cement surface was studied by Fourier transform infrared spectroscopy (FT-IR), field emission gun scanning electron microscopy (FEG-SEM) and energy dispersive X-ray analysis (EDX). Release to the SBF media of ionic degradation products was monitored using inductively coupled plasma atomic emission spectroscopy (ICP-AES). Results FT-IR showed increasing formation of phosphate phase bands at 1097, 960, 607 and 570 cm-1 with prolonged SB…
Validated fast procedure for trace element determination in basil powder
2011
Abstract An inductively coupled plasma optical emission spectroscopic (ICP-OES) method has been developed and fully validated for trace element determination in basil samples. The method involves the previous sample digestion, under pressure, with a mixture of HNO 3 , HCl and H 2 O 2 inside a microwave oven, 42 elements were studied and 33 elements (Al, As, Ba, Ca, Cr, Co, Cu, Fe, Pb, Li, Mg, Mn, Mo, Ni, K, Se, Na, Sr, Tl, Ti, V, Zn, Sc, Y, La, Ce, Nd, Tb, Ho, Er, Tm, Yb, Lu) were determined quantitatively in basil leaves obtained from Morocco and Spain. The method provided recovery percentages from 89% to 113% for spiked concentrations at mg kg −1 and μg kg −1 . Accurate results were found…
The anodic and cathodic dissolution of Al and Al–Cu–Mg alloy
2010
Abstract Atomic emission spectroelectrochemistry (AESEC) was used to monitor the release of Al from 99.99% aluminum (1199 alloy) and Al, Mg, and Cu from 2024 Al alloy in 30 g/l NaCl electrolyte as a function of pH. The cathodic dissolution of Al was demonstrated and attributed to an increase in the pH at the interface due to the water reduction reaction. The dissolution of Mg was also observed but was a more complex function of current probably depending on the interfacial pH and the Al dissolution rate. The detachment of copper-rich particles was observed as very rapid spectroscopic emission transients (peak width
Determination of mineral and trace element concentrations in pine needles by ICP-OES: evaluation of different sample pre-treatment methods
2008
In the present study, the determination of mineral and trace elements (Al, B, Ca, Cu, Fe, K, Mg, Mn, Na, P and Zn) from pine needles using three sample pre-treatment methods followed by inductively coupled plasma optical emission spectrometry, was examined. Sample pre-treatment methods tested were microwave digestion, ultrasound-assisted digestion and dry ashing. The new ultrasound-assisted digestion method was optimised by the analysis of the standard reference material (SRM) 1575a (pine needles) sample. The speed of dry ashing method was significantly increased by ultrasound dissolution after ashing. All the ICP-OES measurements were performed in robust plasma conditions which were tested…
ZnO films grown by MOCVD on GaAs substrates: Effects of a Zn buffer deposition on interface, structural and morphological properties
2009
Abstract Integration of ZnO with the well-developed GaAs technology presents several aspects that need to be previously analyzed and considered. The large lattice mismatch between ZnO and GaAs and its different crystallographic structure lead to many structural defects. In addition, their potential chemical reactivity is another source of complexity and an academic challenge. Recently some interesting contributions on this subject have been carried out by Liu and co-workers. As an additional step to the knowledge of the ZnO/GaAs heterostructure, we have deepened on the study of the morphology and orientation of ZnO thin films grown by atmospheric pressure metal-organic chemical vapour depos…
Application of the open-shell size-consistent self-consistent singles and doubles configuration interaction method to multielectronic transitions in …
2000
The size-consistent self-consistent matrix dressing method has been applied on an open-shell single-configuration reference state. Once the reference state is converged, several low-lying roots can be obtained for the dressed configuration interaction (CI) matrices of appropriate symmetry. The CI matrices were built with a complete-active-space singles and doubles CI method in order to deal properly with multiconfiguration excited states. The vertical ionization and ionization–excitation transitions are obtained from the difference to the closed shell ground-state energy of the neutral molecule. The method has been applied to NH+3 and N+2 using atomic natural orbital basis sets and state-av…
Formation of HXeO in a xenon matrix: Indirect evidence of production, trapping, and mobility of XeO (1 1Σ+) in solid Xe
2004
IR spectroscopy, laser induced fluorescence (LIF), and thermoluminescence (TL) measurements have been combined to monitor trapping, thermal mobility, and reactions of oxygen atoms in solid xenon. HXeO and O(3) have been used as IR active species that probe the reactions of oxygen atoms. N(2)O and H(2)O have been used as precursors for oxygen atoms by photolysis at 193 nm. Upon annealing of matrices after photolysis, ozone forms at two different temperatures: at 18-24 K from close O ...O(2) pairs and at approximately 27 K due to global mobility of oxygen atoms. HXeO forms at approximately 30 K reliably at higher temperature than ozone. Both LIF and TL show activation of oxygen atoms around 3…
The importance of incorporating a waste detoxification step in analytical methodologies
2015
The introduction of a waste detoxification step in the analytical process was highlighted using, as example, the determination of copper in pesticide formulations using electrogravimetry, flame atomic absorption spectroscopy and inductively coupled plasma optical emission spectroscopy. This quantitative study showed the improvement of the previously mentioned analytical methods, from a green perspective, after addition of electrodeposition or neutralization steps to the analytical process. Based on this, the application of the eco-scale and the Green Certificate to the evaluation of these methodologies allows the method to be moved from the B and C classes to the A class.