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2004
Figueiredo, MO, TP Silva, JP Veiga, J. Mirão, and S. Pascarelli. "Speciation of antimony in ancient tile glazes: a XAFS study." 14 th ESRF Users Meetg (2004): 8-13. Abstract
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Raniero, L., N. Martins, P. Canhola, S. Pereira, I. Ferreira, E. Fortunato, and R. Martins. "Spectral response of large area amorphous silicon solar cells." High Temperature Material Processes (An International Quarterly of High-Technology Plasma Processes). 8.2 (2004). Abstract
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Raniero, L., Martins Canhola Pereira Ferreira Fortunato Martins N. P. S. "Spectral response of large area amorphous silicon solar cells." High Temperature Material Processes. 8 (2004): 293-299. AbstractWebsite

In this work we report the study of spectral response on large area amorphous silicon solar cells (30×40 cm2), deposited through plasma enhanced chemical vapour deposition technique (PECVD) at excitation frequencies of 27.12MHz. To perform this work, the solar cells were split in units of area of 0.126 cm2, which allows determining the device homogeneity over all the entire solar cell. Emphasis of this work is put the role of thickness and optical band gap of p-doped layer on the collection efficiency, spectral response, current density-voltage curves under standard condition and spectroscopy impedance. The results show that high transparent p-doped layer can be deposited at 42mW/cm2, which allows increasing the collection efficiency in 45%, at the blue region. The spectroscopy impedance performed showed to be efficient in analyzing the device shunt resistance, interfaces role on the device performances and the behaviour of the device depletion region, for the range of frequencies analysed.

Pereira, L., H. Aguas, R. Igreja, R. M. S. Martins, N. Nedev, L. Raniero, E. Fortunato, and R. Martins. "Sputtering preparation of silicon nitride thin films for gate dielectric applications." Advanced Materials Forum Ii. Eds. R. Martins, E. Fortunato, I. Ferreira, and C. Dias. Vol. 455-456. Materials Science Forum, 455-456. 2004. 69-72. Abstract
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Pereira, L., Águas Igreja Martins Nedev Raniero Fortunato Martins H. R. R. "Sputtering preparation of silicon nitride thin films for gate dielectric applications." Materials Science Forum. 455-456 (2004): 69-72. AbstractWebsite

Silicon nitride films were produced on glass and crystalline silicon substrates using r.f. magnetron sputtering to select the best process conditions (substrate temperature, gas pressure and r.f. power) to grow dielectrics for device applications such as low temperature thin film transistors, where special care has to be taken concerning the film's compactness and bulk defects. The films produced were analysed by different techniques such as ultra violet - visible - near infrared spectroscopy Fourier transformed infrared spectroscopy and capacitance measurements, aiming to correlate the films properties with its composition and degree of compactness. The role of the deposition pressure is notorious since films deposited at high pressures are more compact, presenting low oxygen incorporation after deposition. The increase of the substrate temperature up to 373 °K has the same effect, not changing the film's amorphous structure. These data will be discussed aiming to produce films with the required compactness and stoichiometry to grow very thin insulating layers (<10 nm) to be used in MIS structures or devices like thin film transistors.

Pereira, Lu{\'ıs, Hugo Águas, Rui Igreja, Rui Miguel S. Martins, N. Nedev, Leandro Raniero, Elvira Fortunato, and Rodrigo Martins. "Sputtering preparation of silicon nitride thin films for gate dielectric applications." Materials Science Forum. Vol. 455. Trans Tech Publications, 2004. 69-72. Abstract
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Gil, P., J. Henriques, António Dourado, and H. Duarte-Ramos. "Stability Analysis for a Class of Affine State-Space Neural Networks." 12th Mediterranean Conference on Control and Automation. n/a 2004. Abstract
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Dias, JM, T. Alves, C. Bonifacio, AS Pereira, J. Trincao, D. Bourgeois, I. Moura, and MJ Romao. "Structural basis for the mechanism of Ca2+ activation of the di-heme cytochrome c peroxidase from Pseudomonas nautica 617." Structure. 12 (2004): 961-973. AbstractWebsite

Cytochrome c peroxidase (CCP) catalyses the reduction of H2O2 to H2O, an important step in the cellular detoxification process. The crystal structure of the di-heme CCP from Pseudomonas nautica 617 was obtained in two different conformations in a redox state with the electron transfer heme reduced. Form IN, obtained at pH 4.0, does not contain Ca2+ and was refined at 2.2 Angstrom resolution. This inactive form presents a closed conformation where the peroxidatic heme adopts a six-ligand coordination, hindering the peroxidatic reaction from taking place. Form OUT is Ca2+ dependent and was crystallized at pH 5.3 and refined at 2.4 Angstrom resolution. This active form shows an open conformation, with release of the distal histidine (His71) ligand, providing peroxide access to the active site. This is the first time that the active and inactive states are reported for a di-heme peroxidase.

Dyke, J. M., G. Levita, A. Morris, J. S. Ogden, A. A. Dias, M. Algarra, J. P. Santos, M. L. Costa, P. Rodrigues, and M. T. Barros. "A Study of the Thermal Decomposition of 2-Azidoacetamide by Ultraviolet Photoelectron Spectroscopy and Matrix-Isolation Infrared Spectroscopy:  Identification of the Imine Intermediate H2NCOCHNH." The Journal of Physical Chemistry A. 108 (2004): 5299-5307. AbstractWebsite

The thermal decomposition of 2-azidoacetamide (N3CH2CONH2) has been studied by matrix-isolation infrared spectroscopy and real-time ultraviolet photoelectron spectroscopy. N2, CH2NH, HNCO, CO, NH3, and HCN are observed as high-temperature decomposition products, while at lower temperatures, the novel imine intermediate H2NCOCHNH is observed in the matrix-isolation IR experiments. The identity of this intermediate is confirmed both by ab initio molecular orbital calculations of its IR spectrum and by the temperature dependence and distribution of products in the photoelectron spectroscopy (PES) and IR studies. Mechanisms are proposed for the formation and decomposition of the intermediate consistent both with the observed results and with estimated activation energies based on pathway calculations.

Rodrigues, G. C., P. Indelicato, J. P. Santos, P. Patté, and F. Parente. "Systematic calculation of total atomic energies of ground state configurations." Atomic Data and Nuclear Data Tables. 86 (2004): 117-233. AbstractWebsite

We present a systematic study of atomic binding energies, in the Dirac–Fock approximation, for the Lithium (3 electrons) to the Dubnium (105 electrons) isoelectronic series. In each series we have considered all atomic numbers from the one corresponding to the neutral atom up to Z=118. We have obtained the ground state configurations for several heavy ions with charge larger than one.

Phillips, AJL, and SR Pennycook. "Taxonomy of Botryosphaeria melanops and its anamorph, Fusicoccum advenum." Sydowia. 56 (2004): 288-295. Abstract
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Borges, J. P., M. H. Godinho, AF Martins, DF Stamatialis, M. N. de Pinho, and M. N. Belgacem. "Tensile properties of cellulose fiber reinforced hydroxypropylcellulose films." Polymer composites. 25.1 (2004): 102-110. Abstract
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Aelenei, Laura, A. M. Rodrigues, and Daniel Aelenei. "The Ventilation Effect on the Thermal Performance of a Cavity Wall: Numerical and Experimental Analysis." ROOMVENT 2004 - 9th International Conference on Air Distribution in Rooms. 972-07973-2-3. 2004. Abstract
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Fortunato, E.M.C., Barquinha Pimentel Gonçalves Marques Martins Pereira P. M. C. A. "Wide-bandgap high-mobility ZnO thin-film transistors produced at room temperature." Applied Physics Letters. 85 (2004): 2541-2543. AbstractWebsite

The fabrication of high field-effect mobility ZnO thin film transistor (ZnO-TFT) at room temperature by rf magnetron sputtering was discussed. The ZnO used was deposited onto borosilicate glass substrate with a thickness of 1 mm with 100 x 100 mm surface area, coated with a 200 nm sputtered ITO film. The hall mobilities of about 2 cm2 / V s and a carrier concentration of 3 x 1016cm-3 were measured for the films with lower resistivity. It was observed that the ZnO-TFT presented an average optical transmission of 80% in the visibility part of the spectrum.

Martins, Rodrigo, Elvira Fortunato, P. Nunes, I. Ferreira, A. Marques, M. Bender, N. Katsarakis, V. Cimalla, and G. Kiriakidis. "Zinc oxide as an ozone sensor." Journal of Applied Physics. 96.3 (2004): 1398-1408. Abstract
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Martins, R.a, Fortunato Nunes Ferreira Marques Bender Katsarakis Cimalla Kiriakidis E. a P. a. "Zinc oxide as an ozone sensor." Journal of Applied Physics. 96 (2004): 1398-1408. AbstractWebsite

A study of intrinsic zinc oxide thin film as ozone sensor based on the ultraviolet (UV) photoreduction and subsequent ozone re oxidation of zinc oxide as a fully reversible process was presented. It was found that the film described were produced by spray pyrolysis, dc and rf magnetron sputtering. The dc resistivity of the films changed more than eight orders of magnitude when exposed to an UV dose of 4 mW/cm2. Analysis shows that the porous and textured zinc oxide films produced by spray pyrolysis at low substrate exhibit an excellent ac impedance response.

Silva, Rui Jorge C., Francisco Manuel Braz Fernandes, LuÍs Pereira, António Marques, Isabel Ferreira, Rodrigo Martins, Hugo Águas, Elvira Fortunato, V. Assunção, and Alexandra Gonçalves. "ZnO: Ga thin films produced by RF sputtering at room temperature: Effect of the power density." Materials Science Forum. 455 (2004): 12-15. Abstract
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Fortunato, Elvira, V. Assuncao, António Marques, Alexandra Gonçalves, Hugo Águas, Lu{\'ıs Pereira, Isabel Ferreira, Francisco Manuel Braz Fernandes, Rui Jorge C. Silva, and Rodrigo Martins. "ZnO: Ga thin films produced by RF sputtering at room temperature: Effect of the power density." Materials Science Forum. Vol. 455. Trans Tech Publications, 2004. 12-15. Abstract
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Fortunato, E., Assunção Marques Gonçalves Águas Pereira Ferreira Fernandes Silva Martins V. A. A. "ZnO:Ga thin films produced by RF sputtering at room temperature: Effect of the power density." Materials Science Forum. 455-456 (2004): 12-15. AbstractWebsite

Ga-doped polycrystalline zinc oxide (GZO) thin films have been deposited at high growth rates by rf magnetron sputtering. The dependence of electrical, optical and morphological properties on the rf power density were investigated. The lowest resistivity of 1.9×10-4 Ωcm was obtained for a rf power density of 9 W/cm2 and an argon sputtering pressure of 0.15 Pa at room temperature. The films are polycrystalline with a hexagonal structure and a strong crystallographic c-axis orientation (002) perpendicular to the substrate surface. The films present an overall transmittance in the visible spectra of about 85%. The low resistivity, accomplished with a high growth rate deposited at room temperature, enables the deposition of these films onto polymeric substrates for flexible optoelectronic devices and displays.

Raniero, L, Aguas, H, and Pereira. "{Batch processing method to deposit a-Si : H films by PECVD}." 455-456 (2004): 104-107. AbstractWebsite
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Barbosa, J., O. M. N. D. Teodoro, A. M. C. Moutinho, S. Ribeiro, and C. Monteiro. "{Characterization of TiAl Alloys by Secondary Ion Mass Spectrometry}." Materials science forum. 455-456 (2004): 653-656. Abstract

Titanium aluminides are arising as a valuable alternative to superalloys in applications where the ratio resistance/density is important. Together with excellent mechanical and corrosion properties at high temperatures, such characteristics are very attractive for applications in the aeronautical, aerospace and automotive industries. However, the current high selling price, due to high costs of production and raw materials and the need of very specific equipment, are limitative factors for further applications. With the end of the cold war, and the decrease of traditional markets of TiAl, the strategy to develop other applications, strongly depends on the decrease of production costs. An alternative to the present production routes might be the use of traditional casting techniques, by induction melting of the alloy in a ceramic crucible and pouring into ceramic moulds, made by the investment casting process. However, due to the high reactivity of Ti alloys, the use of traditional ceramic materials cannot be used, as they lead to oxide formation and oxygen pick up both from the crucible and the moulding materials. In this work, the relative oxygen concentration of Ti-48Al castings was measured by SIMS ó Secondary Ion Mass Spectrometry. This technique provides a direct measurement of the isotopic composition with high sensitivity. The cylindrical samples were specially prepared to allow the analysis of the area close to the border. Oxygen profiles were acquired for samples obtained with different mould materials. The comparison of such profiles with hardness ones gives insight in the role of the oxygen concentration in the properties of the alloy and in the choice of the most suitable materials for TiAl production

Aguas, H, Pereira, L, Ferreira, and I. "{Effect of annealing on gold rectifying contacts in amorphous silicon}." 455-456 (2004): 96-99. AbstractWebsite
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Teodoro, O. M. N. D., J. Barbosa, Duarte M. Naia, and A. M. C. Moutinho. "{Effect of low level contamination on TiAl alloys studied by SIMS}." Applied Surface Science. 231-232 (2004): 854-858. Abstract

Titanium aluminides are a valuable alternative to superalloys in applications where the ratio resistance/density is important. Since the ordinary production routes lead to high final costs, an alternative might be the use of traditional casting techniques by induction melting of the alloy in a ceramic crucible and pouring into ceramic moulds, made by the investment casting process. However, due to the high reactivity of Ti alloys, the use of traditional ceramic materials cannot be used, as they lead to oxide formation and oxygen pick up from both the crucible and the moulding materials. In this work, the effect of low level contamination was studied by SIMS. Special attention was given to the oxygen concentration for samples obtained with different mould materials. The comparison of SIMS in-depth profiles with hardness profiles, gives insight concerning the significance of the oxygen concentration in the properties of the alloy and regarding the choice of the most suitable materials for TiAl production.

Raniero, L, Martins, R, Aguas, and H. "{Growth of polymorphous/nanocrystalline silicon films deposited by PECVD at 13.56 MHz}." 455-456 (2004): 532-535. AbstractWebsite
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