Search results for "purity"
showing 10 items of 356 documents
Experimental evidence of E’_gamma centers generation from oxygen vacancies in a-SiO2
2007
Abstract We report on the thermal treatment effects in a γ-ray irradiated oxygen deficient amorphous silicon dioxide (a-SiO2) containing Al impurities. We observed that by thermal treatments the intensity of the 7.6 eV optical absorption band, associated to an oxygen deficient center, and the EPR signal amplitude of irradiation induced [AlO4]0 centers gradually decrease. During these thermal treatments, the E γ ′ centers concentration is found to increase in a correlated way to the decrease of the 7.6 eV absorption amplitude. These results are interpreted assuming an hole-transfer process from the [AlO4]0 centers to the diamagnetic oxygen vacancies, resulting in the generation of E γ ′ cent…
Ab initio modelling of Y-O cluster formation in γ-Fe lattice
2016
Ab initio modelling of Y and O impurity atoms as well as VFe vacancies in the fcc-Fe lattice is performed in order to calculate the interactions between these defects, which are important for understanding of nanoparticles’ formation within the oxide dispersed strengthened steels. Large scale parallel calculations based on plane-wave method realised in VASP computer code show that VFe vacancies considerably influence the binding between the impurity atoms. In this study, we present the results of performed calculations providing the detailed information about the binding energies between the defects, the changes of their effective charges as well as displacements of the substitute atoms rel…
Structure of doped polyaniline - dielectric spectroscopy measurements
1993
The role of doping reagents (residual water and acid anions) in determining the electric properties of a chemically synthesized polyaniline (PANI) was studied using a dielectric spectroscopy method. Dependencies of dielectric losses and susceptibility of PANI as the functions of temperature (-100÷+100°C) and electric field frequency (0.3÷30000 Hz) were examined at it was shown the role of water acts as a doping impurity similar to acid anions. The model is proposed to explain the role of water in terms of adsorption of H 2 O molecules at nitrogen sites of PANI chain and their dissociation
Intense laser effects on donor impurity in a cylindrical single and vertically coupled quantum dots under combined effects of hydrostatic pressure an…
2010
WOS: 000280235800010
Room Temperature Magnetism in Layered Double Hydroxides due to Magnetic Nanoparticles
2013
Some recent reports claiming room temperature spontaneous magnetization in layered double hydroxides (LDHs) have been published; however, the reported materials cause serious concern as to whether this cooperative magnetic behavior comes from extrinsic sources, such as spinel iron oxide nanoparticles. The syntheses of crystalline Fe(3+)-based LDHs with and without impurities have been developed, highlighting the care that must be taken during the synthetic process in order to avoid misidentification of magnetic LDHs.
Robust interpretive optimisation in high-performance liquid chromatography considering uncertainties in peak position.
2005
In the context of interpretive chromatographic optimisation, robustness is usually calculated by introducing deliberated shifts in the nominal optimal conditions and evaluating their effects on the monitored objective function, mimicking thus the experimental procedures used in method validation. However, such strategy ignores a major source of error: the uncertainties associated to the modelling step, that may give rise to deceiving results when conditions that were expected to yield baseline separation are reproduced in the chromatograph. Two approaches, based on the peak purity concept, are here proposed to evaluate the robustness of the objective function under the perspective of measur…
Limits of multi-linear gradient optimisation in reversed-phase liquid chromatography
2005
Abstract The concept of limiting peak purity was applied to quantify the degree of completion of the separation capability of a chromatographic system using multi-linear gradients. The objective was to check whether the complexity of a gradient program deserves be increased to enhance resolution by inserting more linear segments, or on the contrary, no significant improvements can be expected under more complex gradients. A set of 19 isoindole derivatives of primary amino acids was selected to test the performance of isocratic, single linear and multi-linear gradients. Accurate simulated chromatograms were obtained via numerical integration of the general equation of gradient elution, using…
Hydrogen-related conversion processes of Ge-related point defects in silica triggered by UV laser irradiation
2005
The conversion processes of Ge-related point defects triggered in amorphous SiO2 by 4.7eV laser exposure were investigated. Our study has focused on the interplay between the (=Ge•-H) H(II) center and the twofold coordinated Ge defect (=Ge••). The former is generated in the post-irradiation stage, while the latter decays both during and after exposure. The post-irradiation decay kinetics of =Ge•• is isolated and found to be anti-correlated to the growth of H(II), at least at short times. From this finding it is suggested that both processes are due to trapping of radiolytic H0 at the diamagnetic defect site. Furthermore, the anti-correlated behavior is preserve…
Transport Properties of Co2(Mn, Fe)Si Thin Films
2013
Thin Heusler films with the composition Co2Mn1−x Fe x Si were grown by both sputter and pulsed laser deposition. The samples show a high degree of structural order and very good magnetic properties. The availability of thin film samples on dielectric substrates allowed the systematic investigation of their electronic properties by transport experiments. The normal Hall effect shows a transition from a hole-like charge transport in Co2MnSi to an electron-like transport in Co2FeSi. This is in agreement with calculations, which predict that the substitution of Mn by Fe leads to a band filling and a shift of the Fermi energy. Furthermore, the behavior of the anomalous Hall effect was studied. I…
Electrical transport with temperature-induced spin disorder in NiMnSb
2019
Abstract We investigate theoretically the combined effect of phonons and magnons caused by finite temperatures on the electrical resistivity of nonstoichiometric half-Heusler NiMnSb alloy. The coherent potential approximation within the alloy analogy model is employed for an efficient treatment of chemical impurities, atomic displacements, and magnetic disorder. Spin fluctuations of local Mn moments are described by two models: (i) uncompensated disordered local moment approach and (ii) tilting of the moments. The calculated resistivity agrees with experimental data, the agreement is good up to 600 K. We show that a strong magnetic disorder leads to a violation of the Matthiessen’s rule for…