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51.
A. Ferreira da Silva I. Pepe S.A. Tomás W.M. de Azevedo R. Ahuja 《Applied Surface Science》2006,252(15):5365-5367
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. 相似文献
52.
Maria Conceição A. Silva Portela Emmanuel Thanassoulis 《Annals of Operations Research》2006,145(1):129-147
This paper re-assesses three independently developed approaches that are aimed at solving the problem of zero-weights or non-zero
slacks in Data Envelopment Analysis (DEA). The methods are weights restricted, non-radial and extended facet DEA models. Weights
restricted DEA models are dual to envelopment DEA models with restrictions on the dual variables (DEA weights) aimed at avoiding
zero values for those weights; non-radial DEA models are envelopment models which avoid non-zero slacks in the input-output
constraints. Finally, extended facet DEA models recognize that only projections on facets of full dimension correspond to
well defined rates of substitution/transformation between all inputs/outputs which in turn correspond to non-zero weights
in the multiplier version of the DEA model. We demonstrate how these methods are equivalent, not only in their aim but also
in the solutions they yield. In addition, we show that the aforementioned methods modify the production frontier by extending
existing facets or creating unobserved facets. Further we propose a new approach that uses weight restrictions to extend existing
facets. This approach has some advantages in computational terms, because extended facet models normally make use of mixed
integer programming models, which are computationally demanding. 相似文献
53.
Modulated
DSC for gas hydrates analysis 总被引:1,自引:0,他引:1
C. Giavarini F. Maccioni Maria Laura Santarelli 《Journal of Thermal Analysis and Calorimetry》2006,84(2):419-424
Modulated DSC has been applied to the study of methane,
ethane and propane hydrates at different hydrate and ice concentrations. The
reversing component of the TMDSC curves, makes it possible to characterize
such hydrates.
Methane and ethane hydrates show the melting-decomposition
peak at a temperatures higher than the ice contained in the sample, while
propane hydrate melts and decomposes at lower temperature than the ice present
in the sample. The hydrate peaks tend to disappear if the hydrate is stored
at atmospheric pressure. Guest size and cavity occupation fix the heat of
dissociation and stability of the hydrates, as confirmed by parallel tests
on tetrahydrofurane hydrates. 相似文献
54.
Maria Mamalui Chien-Yueh Huang 《Physica E: Low-dimensional Systems and Nanostructures》2004,22(4):912-920
We present the theoretical study of the effect of external random field characterized by a Gaussian probability distribution function on the continuous phonon spectrum of one-dimensional (1D) chain, based on the Jacobian matrix method. The cumulative effect of the random field and simple isotopic defect is studied analytically and numerically. The Gaussian random field removes a square-root divergence appearing in the phonon spectrum of ideal 1D chain. The impurity phonon DOS shows strong dependence on the variance and the mean of the random field and exhibits very different behavior from the non-random case: the continuous spectrum is expanded and the δ-peak, describing discrete impurity vibrations in the non-random chain with the impurity, falls into a continuous zone. 相似文献
55.
CuPc molecules adsorbed on Au(1 1 0)-(1 × 2): growth morphology and evolution of valence band states
Fabrizio Evangelista A. RuoccoValdis Corradini M.P. DonzelloCarlo Mariani Maria Grazia Betti 《Surface science》2003,531(2):123-130
We present the growth morphology, the long-range ordering, and the evolution of the valence band electronic states of ultrathin films of copper phthalocyanine (CuPc) deposited on the Au(1 1 0)-(1 × 2) reconstructed surface, as a function of the organic molecule coverage. The low energy electron diffraction patterns present a (5 × 3) reconstruction from the early adsorption stages. High-resolution UV photoelectron spectroscopy data show the disappearance of the Au surface states related to the (1 × 2) reconstruction, and the presence of new electronic features related to the molecule-substrate interaction and to the CuPc molecular states. The CuPc highest occupied molecular orbital gradually emerges in the valence band, while the interface electronic states are quenched, upon increasing the coverage. 相似文献
56.
57.
Elon Santos Correa Maria Teresinha A. Steiner Alex A. Freitas Celso Carnieri 《Numerical Algorithms》2004,35(2-4):373-388
Facility-location problems have several applications, such as telecommunications, industrial transportation and distribution. One of the most well-known facility-location problems is the p-median problem. This work addresses an application of the capacitated p-median problem to a real-world problem. We propose a genetic algorithm (GA) to solve the capacitated p-median problem. The proposed GA uses not only conventional genetic operators, but also a new heuristic “hypermutation” operator suggested in this work. The proposed GA is compared with a tabu search algorithm. 相似文献
58.
59.
Maria G. Semenova Larisa E. Belyakova Anna S. Antipova Yu. N. Polikarpov Lida Klouda Anna Markovic Michael M. Il'in 《Colloids and surfaces. B, Biointerfaces》2003,31(1-4):47-54
We report on the effect of commercially important polysaccharides (maltodextrins with variable dextrose equivalent (Paselli SA-2, MD-6 and MD-10) on the surface activity at the air–water interface of small-molecule surfactants (sms), possessing different hydrophobic–lipophilic balance ((SSL (Na+), the main component is a sodium salt of stearol–lactoyl lactic acid, and PGE (080), polyglycerol ester of C18 fatty acid), and widely used in food products. A marked change of the surface activity of sms was found in the presence of maltodextrins by tensiometry. The combined data of laser multiangle light scattering and mixing calorimetry have suggested that this result is governed by specific complex formation between maltodextrins and sms in aqueous medium. Measurements have been made of the molar mass, the second virial coefficient and the enthalpy of intermolecular interactions in aqueous solutions. The implication of a degree of polymerization of maltodextrins in this phenomenon was shown. The interrelation between the molecular parameters of the formed complexes and their surface activity at the air–water interface has been revealed and discussed. 相似文献
60.
Terminal alkynes undergo mild and efficient aminomethylation with aqueous formaldehyde and secondary amines under CuI catalysis. In most cases high to nearly quantitative yields of tertiary propargylamines are obtained in DMSO solution at room temperature. Aromatic, aliphatic and silylated acetylenes as well as alkynols can be used. Primary amines are less reactive and satisfactory yields of secondary propargylamines are obtained only with phenylacetylene. 相似文献