Search results for "Chemical species"
showing 10 items of 35 documents
<title>Collisional and thermal ionization of sodium Rydberg atoms in single and crossed atomic beams</title>
2006
The results of the experimental and theoretical study on associative ionization of laser excited Na Rydberg atoms in collisions with ground-state atoms and on thermal ionization by blackbody radiation in single and crossed effusive atomic beams are reported and discussed.
<title>Multiphoton-absorption-induced structural changes in fused silica</title>
1991
The basic properties (light refractive index, density, mechanical strength, etc.) of fused silica are changed by the influence of high-intensity light from the glass transparency region capable of generating excitons by multiphoton absorption. The self-trapped exciton decay near the microcavity in the fused silica structure leads to the stable elementary intrinsic defect pair (nonbridging oxygen atom and three-fold-coordinated silicon atom) generation. At the large- enough light intensities near such a microcavity with a defect, the next exciton can be self- trapped. Then the next elementary defect can appear in the microcavity, and a chemical bond between it and the previously generated de…
Quantum chemical simulations of bound hold polarons (V Mg centers) in corundum crystals
1997
The semi-empirical INDO method has been applied to the calculations of the bound hole small-radius polarons in corundum. Results for optimized atomic and electronic structure using two different approaches (molecular cluster and periodic, supercell model) are critically compared. Both models find that two-site configurations of bound hole polarons have the lowest energy (which does not exclude existence of one-site polarons also characterized by essential relaxation energies). Experimental ENDOR data on V Mg defects are discussed in the light of the calculations.
<title>Large-scale first-principles calculations of Fe-doped SrTiO<formula><inf><roman>3</roman></inf></formul…
2003
The energy level positions in the optical gap and atomic geometry for the Fe4+ impurity substituting for a host Ti atom in SrTiO3 are calculated using the Unrestricted Hartree-Fock (UHF) method and supercells containing up to 320 atoms. In agreement with experiment, the high spin (S = 2) state is much lower in energy than the zero-spin state. The energy level positions strongly depend on the asymmetric displacements of six nearest O ions which is a combination of the Jahn-Teller and breathing modes. A considerable covalent bonding between the Fe ion and four nearest O ions takes place. We predict a strong dependence of optical absorption energies on the crystal compression or internal tensi…
Metal speciation in solid matrices
1994
The literature on metal ion speciation in solid matrices is reviewed, taking into account its applications in the analysis of soil, sediment, biological materials, foodstuff and other solid samples. The pretreatment methods of various solid materials required for carrying out speciation studies have been highlighted. The basis of the methods of separation of different species from matrices, such as sequential extraction, selective extraction, etc. is discussed. The instrumental techniques used for the characterization of different chemical species in solid matrices have been mentioned. The literature survey reveals the analytical details of the developed methodologies, and these have been e…
<title>Mechanisms of holographic recording in amorphous semiconductor films</title>
1998
The mechanisms of holographic recording in (mainly chalcogenide) amorphous semiconductor films are reviewed including photoinduced structural changes, relaxational structural changes, recharging of localized states in the band gap, and photoinduced anisotropy. The holographic properties in these cases are compared. Different effects of hologram self-enhancement are also considered.© (1998) COPYRIGHT SPIE--The International Society for Optical Engineering. Downloading of the abstract is permitted for personal use only.
Laser depassivation of a channel flow double-electrode: A new technique in repassivation studies
1993
Abstract A powerful tool for distinguishing between the different electrochemical steps involved during a depassivation-repassivation sequence was developed by combining the pulsed laser depassivation technique with an hydrodynamic electrochemical method: the channel flow double-electrode (CFDE). This experiment consisted of transporting the chemical species (Fe 2+ ) released by a depassivated iron electrode to a collecting electrode where these species were oxidized. A qualitative idea of the relative contribution of the anodic dissolution to the repassivation behavior was obtained. For a passive iron in acidic solution it was found that about 15% of the total charge is related to anodic d…
Addressing selectivity criteria in binding equilibria
2012
Abstract Chemical systems, in particular those involving biological and environmental backgrounds, develop through selective processes which are determined by multiple equilibria. Several methods that have been developed to assess thermodynamic selectivity in binding equilibria, including the analysis of selectivity coefficients, the use of calculated species distribution diagrams, selectivity diagrams, and conditional stability constants, are reviewed in this paper with reference to examples mainly related to chemical systems of biological and/or environmental concern. Also the concept of binding affinity has been dealt with, since binding selectivity in equilibrium systems relates to the …
Ferroelectric plasma source as an exciting source for rare earth elements
2003
The plasma sources basing on electrical discharges near the surfaces of ferroelectric materials have been described. It was shown that the ferroelectric plasma sources are especially useful for investigations in the field of optical spectroscopy. They have been found to be especially useful for exciting the atoms and ions or rare earth elements.
<title>Quantum chemical simulation of silicon nanostructures</title>
1999
The point defects in silicon, their migration, geometry and electronic structure, as well as some models for nanowires, were studied. The ab initio Self Consistent Field Molecular Orbital method and the molecular cluster model were used. Hydrogen pseudoatoms were used to saturate dangling bonds of the cluster. The influence of the compression onto defect structure and properties was simulated by changing the bond length value. The silicon interstitial migration activation energy, calculated as the difference between the total energies of the cluster with interstitial in tetrahedral and hexagonal positions, is 4.21 eV, and it does not depend on local pressure. The influence of high pressure …