Speciation of activators in electroluminescent thin films: an EXAFS study of cerium and terbium doped strontium sulfide

Extended X-ray absorption fine structure (EXAFS) was used to determine the local structure of the luminescent centers in Tb³⁺ and Ce³⁺ -doped strontium sulfide thin films deposited by Atomic Layer Epitaxy (ALE). The rare earths were observed to enter mainly the substitutional sites but at the same time a part of the atoms form RES clusters (RE = rare earth). The presence of both substitutional sites and RES clusters has been observed for the first time in this study for rare earths in II–VI compounds.     

Matrix isolation and ab initio studies of the H2S---CO complex

The structure, energetics, and vibrational properties of complexes formed between H₂S and CO have been investigated by matrix isolation FTIR spectroscopy and ab initio molecular orbital theory. Two stable computational minima were found representing nearly linear hydrogen bonds between the subunits. The H₂S---CO and H₂S---OC species were calculated to be bound by 5.22 and 1.54 kJ mol⁻¹, respectively. The computational results were reproduced by experimental assignments for the carbon attached complex. The stretching vibrations of the complex subunits were found to be similarly perturbed upon complexation both experimentally and computationally.     

Architecture dependence on the steric constrains of the ligand in cyano-bridged copper(I) and copper(II)-copper(I) mixed-valence polymer compounds containing diamines: crystal structures and spectroscopic and magnetic properties

A family of cyano-bridged copper(II)-copper(I) mixed-valence polymers containing diamine ligands of formula [Cu(pn)(2)][Cu(2)(CN)(4)] (1, pn = 1,2-propanediamine), [Cu(2)(CN)(3)(dmen)] (2, dmen = N,N-dimethylethylenediamine), and [Cu(3)(CN)(4)(tmen)] (3, tmen = N,N,N',N'-tetramethylethylenediamine) have been prepared with the aim of analyzing how their architecture may be affected by steric constraints imposed by the diamine ligands. In the absence of diamine and with use of the voluminous NEt(4)(+) cation, the copper(I) polymer [NEt(4)][Cu(2)(CN)(3)] (4) forms. The structure of 1 consists of a three-dimensional diamond-related anionic framework host, [Cu(2)(CN)(4)](2-), and enclathrated [Cu(pn)(2)](2+) cations. The structure of 2 is made of neutral corrugated sheets constructed from fused 18-member nonplanar rings, which contain three equivalent copper(I) and three equivalent copper(II) centers bridged by cyanide groups in an alternative form. The 3D structure of 3 consists of interconnected stair-like double chains built from fused 18-member rings, which adopt a chairlike conformation. Each ring is constructed from two distorted trigonal planar Cu(I) centers, two bent seemingly two-coordinated Cu(I) centers, and two pentacoordinated Cu(II) atoms. The structure 4 is made of planar anionic layers [Cu(2)(CN)(3)](n)(n-) lying on mirror planes and NEt(4)(+) cations intercalated between the anionic layers. From the X-ray structural results and calculations based upon DFT theory some conclusions are drawn on the structure-steric factors correlation in these compounds. Compound 1 exhibits very weak luminescence at 77 K with a maximum in the emission spectrum at 520 nm, whereas compound 4 shows an intense luminescence at room temperature with a maximum in the emission spectrum at 371 nm. Polymers 2 and 3 exhibit weak antiferromagnetic magnetic exchange interactions with J = -0.065(3) and -2.739(5) cm(-1), respectively. This behavior have been justified on the basis of the sum of two contributions: one arising from the pure ground-state configuration and the other one from the charge-transfer configuration Cu(I)-CN-Cu(II)-CN-Cu(II) that mixes with the ground-state configuration.     

Replicated Polymer Light Guide Interconnector with Depth Modified Surface Relief Grating Couplers

Planar light guide plate with one in-coupling and N out-coupling surface relief gratings is designed to perform as optical backplane broadcasting system for board-to-board connections. The performance of the element is analyzed theoretically with rigorous electromagnetic theory and results are confirmed experimentally. In addition, optical backplane elements have been replicated using conventional injection molding and UV-replication techniques.     

Transport properties of heterogeneous materials. Combining computerised X-ray micro-tomography and direct numerical simulations

Feasibility of a method for finding flow permeability of porous materials, based on combining computerised X-ray micro-tomography and numerical simulations, is assessed. The permeability is found by solving fluid flow through the complex 3D pore structures obtained by tomography for actual material samples. We estimate overall accuracy of the method and compare numerical and experimental results. Factors contributing to uncertainty of the method include numerical error arising from the finite resolution of tomographic images and the rather small sample size available with the present tomographic techniques. The total uncertainty of computed values of permeability is, however, not essentially larger than that of experimental results. We conclude that the method provides a feasible alternative for finding fluid flow properties of the kind of materials studied. It can be used to estimate all components of permeability tensor and is useful in cases where direct measurements are not achievable. Analogous methods can be applied to other modes of transport, such as diffusion and heat conduction.     

Effect of Physical Properties and Emulsification Conditions on the Microsphere Size Prepared Using a Solvent Extraction Process

Microspheres were prepared using a hydrocarbon-perfluorocarbon solvent extraction process. The effect of the physical properties and the emulsification conditions on the mean microsphere size was investigated. The viscosity of the dispersed and the continuous phase greatly affected the microsphere size. Smaller microspheres were produced at the same mixing intensity when the viscosity of the dispersed phase decreased. Increased continuous phase viscosity reduced the coalescenceof the droplets and hence smaller microspheres were produced. The mean microsphere size first decreased as the volume ratio of the dispersed phase to the continuous phase increased but upon further increase the mean microsphere size increased. The effect of the volume ratio on the microsphere size was linked to the surfactant concentration. The stability of the studied hydrocarbon-in-fluorocarbon emulsion is poor. One reason for the poor stability is the high density difference between the phases. The emulsion droplets were solidified by siphoning part of the emulsion in the fresh continuous phase, which extracted the solvent from the dispersed phase. The effect of emulsion transfer time between the emulsification and solidification steps on the particle size was studied but no significant effect was observedduring the controlled time interval.     

Persistence of Simple Substances

In this paper, we argue for a novel three-dimensionalist (3D'ist) solution to the problem of persistence, i.e. cross-temporal identity. We restrict the discussion of persistence to simple substances, which do not have other substances as their parts. The account of simple substances employed in the paper is a trope-nominalist strong nuclear theory (SNT), which develops Peter Simons' trope nominalism. Regarding the distinction between three dimensionalism (3D) and four dimensionalism (4D), we follow Michael Della Rocca's formulation, in which 3D explains persistence in virtue of same entities and 4D in virtue of distinct entities (temporal parts). SNT is a 3D'ist position because it accounts for the persistence of simple substances in virtue of diachronically identical ‘nuclear’ tropes. The nuclear tropes of a simple substance are necessary for it and mutually rigidly dependent but distinct. SNT explains qualitative change by tropes that are contingent to a simple substance. We show that it avoids the standard problems of 3D: temporal relativization of ontic predication, Bradley's regress and coincidence, fission and fusion cases. The temporal relativization is avoided because of the analysis of temporary parts that SNT gives in terms of temporal sub-location, which is atemporal part–whole relation.     

Infrared absorption spectrum of matrix-isolated noble-gas hydride molecules: fingerprints of specific interactions and hindered rotation

Noble-gas hydride molecules with the general formula HNgY (Ng denotes noble-gas atom and Y denotes electronegative fragment) are usually prepared in solid noble gases. In many cases, the matrix-isolated HNgY molecules show a characteristic structure of the H-Ng stretching absorption: A close doublet as the main spectral feature and a weaker satellite at higher energy. This characteristic band structure is studied here for matrix-isolated HXeBr and HKrCl molecules. Based on the experimental and theoretical results, we suggest a model explaining the common features of the band structure of the HNgY molecules in noble-gas matrices. In this model, the main doublet bands are attributed to matrix sites where the splitting is caused by specific interactions of the embedded molecule with noble-gas matrix atoms in certain local morphology. The weaker blueshifted band is probably a fingerprint of hindered rotation (libration) of the embedded molecule in the lattice. This librational band has a mirror counterpart at lower energies appearing at higher matrix temperatures. Our present ab initio calculations for the one-to-one Xe...HXeBr complexes and the simulation of hindered rotation in a matrix support this image.     

On a general associativity law in groupoids

In this paper we show that a division groupoid together with a general associativity law is in fact a group.