Optical properties of in situ doped and undoped titania nanocatalysts and doped titania sol-gel nanofilms

In this paper we present spectroscopic properties of doped and undoped titanium dioxide (TiO₂) as nanofilms prepared by the sol-gel process with rhodamine 6G doping and studied by photoacoustic absorption, excitation and emission spectroscopy. The absorption spectra of TiO₂ thin films doped with rhodamine 6G at very low concentration during their preparation show two absorption bands, one at 2.3 eV attributed to molecular dimmer formation, which is responsible for the fluorescence quenching of the sample and the other at 3.0 eV attributed to TiO₂ absorption, which subsequently yields a strong emission band at 600 nm. The electronic band structure and optical properties of the rutile phase of TiO₂ are calculated employing a fully relativistic, full-potential, linearized, augmented plane-wave (FPLAPW) method within the local density approximation (LDA). Comparison of this calculation with experimental data for TiO₂ films prepared for undoped sol-gels and by sputtering is performed.     

Effects of in situ thermal annealing on the structural, optical, and electrical properties in Hg0.7Cd0.3Te epilayers grown on CdTe buffer layers

Scanning electron microscopy (SEM), Fourier transform infrared (FTIR) transmission, and Hall effect measurements were performed to investigate the structural, optical, and electrical properties of as-grown and in situ-annealed Hg_0.7Cd_0.3Te epilayers grown on CdTe buffer layers by using molecular beam epitaxy. After the Hg_0.7Cd_0.3Te epilayers had been annealed in a Hg-cell flux atmosphere, the SEM images showed that the surface morphologies of the Hg_0.7Cd_0.3Te thin films were mirror-like with no indication of pinholes or defects, and the FTIR spectra showed that the transmission intensities had increased in comparison to that of the as-grown Hg_0.7Cd_0.3Te epilayer. Hall-effect measurements showed that n-Hg_0.7Cd_0.3Te epilayers were converted to p-Hg_0.7Cd_0.3Te epilayers. These results indicate that the surface, optical, and electrical properties of the Hg_1 − xCd_xTe epilayers are improved by annealing and that as-grown n-Hg_1 − xCd_xTe epilayers can be converted to p-Hg_1 − xCd_xTe epilayers by in situ annealing.     

Magnetic,electrical transport and electron spin resonance studies of ferromagnetic insulating manganites Nd0.85Na0.15MnO3

We have investigated the magnetic, electrical transport and electron spin resonance (ESR) properties of polycrystalline Nd_0.85Na_0.15MnO₃ prepared by sol–gel method. A ferromagnetic–paramagnetic (FM–PM) transition is observed around 110 K, which is not accompanied by a metal–insulator transition. The sample displays the complete PM state associated with the ESR spectra fitted by single Lorentzian line shape above 130 K. Below 130 K, ESR spectra become distorted and then linewidth increases rapidly, where short-range magnetic order develops and coexists with PM phase due to the inhomogeneous magnetic state. In addition, the large difference between the activation energies obtained from the resistivity and ESR parameters (peak-to-peak linewidth and line intensity) at the frame of adiabatic small polaron hopping model is pointed out for Nd_0.85Na_0.15MnO₃.     

Corn stover fractions and bioenergy

Information is presented on structure, composition, and response to enzymes of corn stover related to barriers for bioconversion to ethanol. Aromatic compounds occurred in most tissue cell walls. Ferulic acid esterase treatment before cellulase treatment significantly improved dry weight loss and release of phenolic acids and sugars in most fractions over cellulase alone. Leaf fractions were considerably higher in dry weight loss and released sugars with esterase treatment, but stem pith cells gave up the most phenolic acids. Results help identify plant fractions more appropriate for coproducts and bioconversion and those more suitable as residues for soil erosion control.     

Experimental study of convection in a model Czochralski crucible using liquid crystal thermography

Steady state temperature distribution in a model Czochralski crucible has been mapped by liquid crystal thermography (LCT). The crucible is a water-filled glass beaker. Water is used as the test fluid because of ease of experimentation, as well as the availability of correct thermo-physical properties. In addition, the Prandtl number of water matches those of molten oxides. A copper cylinder whose diameter is smaller than that of the beaker is placed centrally at the water surface. Convection patterns are set up by applying constant temperature difference between the crucible wall and the cylinder surface, in the temperature range of the liquid crystals. The cylinder is given a fixed rotation, thus creating mixed convection conditions in the test fluid. The LCT images recorded in the present study clearly reveal convective rolls, and the interaction of buoyancy-driven convection in the crucible with cylinder rotation. The resulting temperature distributions match numerical simulation quite well. The pure buoyancy and pure rotation experiments result in axisymmetric temperature fields, while in mixed convection, the field is unsteady and three dimensional.     

Thermal treatment on composite γ-zirconium phosphate-silica

The prepared amorphous γ-ZrP\SiO₂ composite had a complicated composition, since a part of γ-ZrP is converted to α-form during the exfoliation of it. The γ-ZrP\SiO₂ composite have specific surface area of 421 m²g^–1. The acidic P–OH groups of the lamellae species placed on the surface (it is ≈1.0 meq g^–1), do not destroy until the temperature of 1030 K. During the thermal treatment the total mass loss of 7.79% was found. This value corresponds to 0.42 mole of H₂O per molecule unit. The water loss process was found very slow, because of the placing of bilamellar species in the composite.     

146Ce核的八级形变带和准γ带

通过测量²⁵²Cf自发裂变所产生的瞬发γ射线, 对¹⁴⁶Ce核的高自旋结构进行了重新研究, 结果更新了以前报道的能级纲图, 把八级形变集体带扩展到更高的自旋, 并且重新构建了可能的准γ带结构. 此外, 用反射不对称壳模型(RASM)对¹⁴⁶Ce核的八级形变带进行了计算, 低自旋处的计算结果与实验数据符合得很好.     

Radiochemistry in chemistry and chemistry related undergraduate programmes in Argentina

Summary The evolution of education in Argentina at the university level is described. The detailed search of the educational offer shows that less than half of the universities (35 out of 92) include chemistry and chemistry related undergraduate programmes in their curriculum. The revision of the position of radiochemistry in these programmes reveals that only seven courses on radiochemistry are currently offered. Radiochemistry is included only in few programmes in chemistry and biochemistry. With respect to the programmes in chemical engineering the situation is worse. This offer is strongly concentrated in Buenos Aires and its surroundings.     

Growth and characterization of model oxide catalysts

Oxide catalysts are frequently used to convert toxic species to environmentally benign molecules, and to prevent the formation of toxic species in the first place. In this paper, growth and characterization of model oxide systems employed in both approaches is discussed. An example of the former approach is the selective catalytic reduction (SCR) of NO emitted from power plants by NH₃, which employs tungsten and vanadium oxides supported on the anatase polymorph of TiO₂. To model SCR catalysts, epitaxial titanium, vanadium and tungsten oxide films were grown using molecular beam epitaxy and magnetron sputtering. Two different anatase orientations were grown on LaAlO₃ substrates and their interactions with vanadia were characterized. On LaAlO₃ (0 0 1), anatase exposed a (4 × 1) reconstructed (0 0 1) surface. Vanadia lifted the reconstruction and at 1 ML a (1 × 1) surface with mostly V⁵⁺ was observed. Continued V₂O₅ growth led to loss of order, but at high temperatures epitaxial VO₂ could be grown; vanadia behaved similarly on anatase films on LaAlO₃ (1 1 0). Results suggested that the monolayer is pseudomorphic with O adsorption oxidizing the surface V to 5+, since the anatase structure cannot accommodate more bulk oxygen, only a monolayer can be pseudomorphic and have only V⁵⁺. Thus the vanadia monolayer has unique structural and chemical properties that can help explain why vanadia monolayers on TiO₂ are much more active than bulk V₂O₅. For WO₃, a series of added row reconstructions were observed as the epitaxial films were reduced. The effect of these structures on surface chemistry was characterized by studying 1-propanol adsorption. The results indicated that the structure of the WO₃ surface did not alter its catalytic function but had a strong effect on reaction kinetics. As an example of a system where catalysts prevent the formation of toxic species, the reactivity of oxidized Pd surfaces used in CH₄ catalytic combustion were studied. An ordered PdO-like monolayer was found to be less reactive towards CO than adsorbed O on Pd. On the other hand, the PdO layer favored a lower activation energy C₃H₆ oxidation pathway. The results indicated that Pd oxidation reduces the sticking coefficient of reactive species but once molecules adsorb, the oxide surface can reduce the activation energy for subsequent reaction.     

Working group report: Quantum chromodynamics

This is the report of the subgroup QCD of Working Group-4 at WHEPP-9. We present the activities that had taken place in the subgroup and report some of the partial results arrived at following the discussion at the working group meetings.