Santos, J. P., M. L. Costa, R. I. Olariu, and F. Parente. "
Theoretical study of the molecular properties of benzyl azide, 2-, 3- and 4-methyl benzyl azide."
The European Physical Journal D - Atomic, Molecular and Optical Physics. 39 (2006): 379-384.
AbstractAb initio and density functional calculations have been performed to study the benzyl azide, 2-, 3- and 4-methyl benzyl azides. Several molecular properties, such as conformational equilibrium, optimal geometry, and vibrational frequencies, have been computed for these molecules. Ionisation energies were also computed.
Martins, M. C., J. P. Santos, A. M. Costa, and F. Parente. "
Transition wavelengths and probabilities for spectral lines of Zr III."
The European Physical Journal D. 39 (2006): 167-172.
AbstractWavelengths and oscillator strengths for all dipole-allowed fine-structure transitions in Zr III have been calculated within the Multi-Configuration Dirac-Fock method with QED corrections. These transitions are included in the spectrum of some chemically peculiar stars, like the B-type star Lupi observed by the Hubble space telescope. The results are compared to existing experimental and semi-empirical data.
Pimentel, A.C., Gonçalves Marques Martins Fortunato A. A. R. "
Zinc oxide thin films used as an ozone sensor at room temperature."
Materials Research Society Symposium Proceedings. Vol. 915. 2006. 243-248.
AbstractIn this paper we present results of intrinsic/non doped zinc oxide films deposited at room temperature by rf magnetron sputtering able to be used as a truly semiconductor on electronic devices like ozone gas sensors and ultra-violet detectors. The produced films are polycrystalline with a c-axis preferential orientation parallel to the substrate. The films' resistivity varies from 4.0×10-2 Ωcm to 1.0×10-9 Ωcm, depending on the deposition conditions used (rf power density and oxygen partial pressure), which turns not affecting the optical properties (in average a transmittance of around 85 % and an optical band gap of about 3.44 eV, independent of the deposition conditions used). When exposed to UV light the sensor response based on these films may exceed more than 5 orders of magnitude, recovering to the initial state in the presence of ozone. The sensitivity of the films is improved when the oxygen partial pressure increases and the rf power density used decreases, due to changes on the structural properties of the films. © 2006 Materials Research Society.
Neto, V. F., R. Vaz, T. Shokuhfar, C. A. A. Ghumman, and O. M. N. D. Teodoro. "
{Diffusion of Critical Elements in Steel during Thermal Treatments in a Diamond Chemical Vapour Deposition Atmosphere}."
Defect and Diffusion Forum. 258-260 (2006): 270-275.
AbstractIn this study, it will be investigated the diffusion of critical elements, namely, carbon (C) and iron (Fe), into a steel substrate (Impax Supreme) during the diamond chemical vapour deposition (CVD) process. The substrate temperature was varied from 700 to 850oC by plasma power manipulations to enable the correlation of substrate temperature with diffusion length and depth of the above mentioned critical elements into steel during film growth conditions. Methane concentration is also a parameter which has been considered during the parametric analysis. The crystalline compounds formed during the diamond growth process are studied using XRD analysis. In addition, SIMS technique is used with depth profiling to monitor the diffusion of elements during the process. The results obtained enabled to improve traditional understanding about the mechanisms relating to diamond deposition on steel substrates using CVD processes.