Doping saturation in dye-sensitized solar cells based on ZnO:Ga nanostructured photoanodes

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Non-Abelian Sugawara construction and the q-deformed N=2 superconformal algebra

The construction of a q-deformed N = 2 superconformal algebra is proposed in terms of level-1 currents of the U-q(<(su)over cap>(2)) quantum affine Lie algebra and a single real Fermi field. In particular, it suggests the expression for the q-deformed energy-momentum tensor in the Sugawara form. Its constituents generate two isomorphic quadratic algebraic structures. The generalization to U-q(<(su)over cap>(N + 1)) is also proposed.

The end magnets of the IFUSP race-track microtron booster

The end magnets of the IFUSP race-track microtron booster, second stage of the electron accelerator under construction at the Linear Accelerator Laboratory, are presented. They deflect, focus and return the beam to the accelerating section. Details about the project are discussed, Poisson code was used to give the final geometry of the end magnets. The end magnets incorporate auxiliary pole pieces (clamps) which create a reverse fringe field region that avoids the beam vertical defocusing and reduces the horizontal displacement produced by extended fringe fields (EFF). The small gap height used for the clamps provided reverse field distributions with fringe fields of short extensions, avoiding the traditional use of inactive clamps. Measurements and calculations concerning particle trajectories and reverse field distribution are presented. The floating wire technique, employing an original procedure to register orbits, was used to corroborate the calculated beam trajectories and represents a good experimental option in the lack of the accelerator beam. The experimental results showed agreement of about 0.1% with the calculations.

Effect of the bound nucleon form factors on charged-current neutrino-nucleus scattering

We study the effect of bound nucleon form factors on charged-current neutrino-nucleus scattering. The bound nucleon form factors of the vector and axial-vector currents are calculated in the quark-meson coupling model. We compute the inclusive C-12(nu(mu),mu(-))X cross sections using a relativistic Fermi gas model with the calculated bound nucleon form factors. The effect of the bound nucleon form factors for this reaction is a reduction of similar to8% for the total cross section, relative to that calculated with the free nucleon form factors.

Soliton clusters inducing insulator-to-metal transition in polyacetylene: a Su-Schrieffer-Heeger model study

The Su-Schrieffer-Heeger (SSH) Hamiltonian has been one of most used models to study the electronic structure of polyacetylene (PA) chains. It has been reported in the literature that in the SSH framework a disordered soliton distribution can not produce a metallic regime. However, in this work (using the same SSH model and parameters) we show that this is possible. The necessary conditions for true metals (non-vanishing density of states and extended wavefunctions around the Fermi level) are obtained for soliton concentration higher than 6% through soliton segregation (clustering). These results are consistent with recent experimental data supporting disorder as an essential mechanism behind the high conductivity of conducting polymers. (C) 2001 Elsevier B.V. B.V. All rights reserved.

INSULATOR-TO-METAL TRANSITION IN POLYTHIOPHENE

In the present work, the electronic structure of polythiophene at several doping levels is investigated by the use of the Huckel Hamiltonian with sigma-bond compressibility. Excess charges are assumed to be stored in conformational defects of the bipolaron type. The Hamiltonian matrix elements representative of a bipolaron are obtained from a previous thiophene oligomer calculation, and then transferred to very long chains. Negative factor counting and inverse iteration techniques have been used to evaluate densities of states and wave functions, respectively. Several types of defect distributions were analyzed. Our results are consistent with the following: (i) the bipolaron lattice does not present a finite density of states at the Fermi energy at any doping level; (ii) bipolaron clusters show an insulator-to-metal transition at 8 mol% doping level; (iii) segregation disorder shows an insulator-to-metal transition for doping levels in the range 20-30 mor %.

A theoretical analysis of the TiO2/Sn doped (110) surface properties

We have used the periodic quantum-mechanical method with density functional theory at the B3LYP level in order to study TiO2/Sn doped (1 1 0) surfaces and have investigated the structural, electronic and energy band properties of these oxides. Our calculated relaxation directions for TiO2 is the experimental one and is also in agreement with other theoretical results. We also observe for the doped systems relaxation of lattice positions of the atoms. Modification of Sri, O and Ti charges depend on the planes and positions of the substituted atoms. Doping can modify the Fermi levels, energy gaps as well as the localization and composition of both valence and conduction band main components. Doping can also modify the chemical, electronic and optical properties of these oxides surfaces increasing their suitability for use as gas sensors and optoelectronic devices. (c) 2005 Elsevier B.V. All rights reserved.

Response of L-alanine and 2-methylalanine minidosimeters for K-Band (24 GHz) EPR dosimetry

Minidosimeters of L-alanine and 2-methylalanine (2MA) were prepared and tested as potential candidates for small radiation field dosimetry. To quantify the free radicals created by radiation a K-Band (24 GHz) EPR spectrometer was used. X-rays provided by a 6 MV clinical linear accelerator were used to irradiate the minidosimeters in the dose range of 0.5-30 Gy. The dose-response curves for both radiation sensitive materials displayed a good linear behavior in the dose range indicated with 2MA being more radiation sensitive than L-alanine. Moreover, 2MA showed a smaller LLD (lower limit detection) value. The proposed system minidosimeter/K-Band spectrometer was able to detect 10 Gy EPR spectra with good signal-to-noise ratio (S/N). The overall uncertainty indicates that this system shows a good performance for the detection of dose values of 20 Gy and above, which are dose values typically used in radiosurgery treatments. (c) 2007 Elsevier B.V. All rights reserved.

Photoluminescence temperature dependence of doped parabolic quantum wells

Parabolic quantum wells (PQWs) have been studied by temperature dependent photoluminescence (PL). Two kind of samples have been studied. Concerning the undoped sample, the dominant luminescences were the bulk GaAs and the fundamental transition of the PQW. The evolution on temperature of the energy position of both PL emissions follows the well known Varshing formula. For the doped samples strong radiative recombination of the electron gas with photogenerated holes was observed. At low temperature strong Fermi level enhancement occurs in the luminescence as a result of the multi-electron-hole scattering, which is smear out increasing the temperature.

The STATFLUX code: a statistical method for calculation of flow and set of parameters, based on the Multiple-Compartment Biokinetical Model

The code STATFLUX, implementing a new and simple statistical procedure for the calculation of transfer coefficients in radionuclide transport to animals and plants, is proposed. The method is based on the general multiple-compartment model, which uses a system of linear equations involving geometrical volume considerations. Flow parameters were estimated by employing two different least-squares procedures: Derivative and Gauss-Marquardt methods, with the available experimental data of radionuclide concentrations as the input functions of time. The solution of the inverse problem, which relates a given set of flow parameter with the time evolution of concentration functions, is achieved via a Monte Carlo Simulation procedure.Program summaryTitle of program: STATFLUXCatalogue identifier: ADYS_v1_0Program summary URL: http://cpc.cs.qub.ac.uk/summaries/ADYS_v1_0Program obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandLicensing provisions: noneComputer for which the program is designed and others on which it has been tested: Micro-computer with Intel Pentium III, 3.0 GHzInstallation: Laboratory of Linear Accelerator, Department of Experimental Physics, University of São Paulo, BrazilOperating system: Windows 2000 and Windows XPProgramming language used: Fortran-77 as implemented in Microsoft Fortran 4.0. NOTE: Microsoft Fortran includes non-standard features which are used in this program. Standard Fortran compilers such as, g77, f77, ifort and NAG95, are not able to compile the code and therefore it has not been possible for the CPC Program Library to test the program.Memory, required to execute with typical data: 8 Mbytes of RAM memory and 100 MB of Hard disk memoryNo. of bits in a word: 16No. of lines in distributed program, including test data, etc.: 6912No. of bytes in distributed Program, including test data, etc.: 229 541Distribution format: tar.gzNature of the physical problem: the investigation of transport mechanisms for radioactive substances, through environmental pathways, is very important for radiological protection of populations. One such pathway, associated with the food chain, is the grass-animal-man sequence. The distribution of trace elements in humans and laboratory animals has been intensively studied over the past 60 years [R.C. Pendlenton, C.W. Mays, R.D. Lloyd, A.L. Brooks, Differential accumulation of iodine-131 from local fallout in people and milk, Health Phys. 9 (1963) 1253-1262]. In addition, investigations on the incidence of cancer in humans, and a possible causal relationship to radioactive fallout, have been undertaken [E.S. Weiss, M.L. Rallison, W.T. London, W.T. Carlyle Thompson, Thyroid nodularity in southwestern Utah school children exposed to fallout radiation, Amer. J. Public Health 61 (1971) 241-249; M.L. Rallison, B.M. Dobyns, F.R. Keating, J.E. Rall, F.H. Tyler, Thyroid diseases in children, Amer. J. Med. 56 (1974) 457-463; J.L. Lyon, M.R. Klauber, J.W. Gardner, K.S. Udall, Childhood leukemia associated with fallout from nuclear testing, N. Engl. J. Med. 300 (1979) 397-402]. From the pathways of entry of radionuclides in the human (or animal) body, ingestion is the most important because it is closely related to life-long alimentary (or dietary) habits. Those radionuclides which are able to enter the living cells by either metabolic or other processes give rise to localized doses which can be very high. The evaluation of these internally localized doses is of paramount importance for the assessment of radiobiological risks and radiological protection. The time behavior of trace concentration in organs is the principal input for prediction of internal doses after acute or chronic exposure. The General Multiple-Compartment Model (GMCM) is the powerful and more accepted method for biokinetical studies, which allows the calculation of concentration of trace elements in organs as a function of time, when the flow parameters of the model are known. However, few biokinetics data exist in the literature, and the determination of flow and transfer parameters by statistical fitting for each system is an open problem.Restriction on the complexity of the problem: This version of the code works with the constant volume approximation, which is valid for many situations where the biological half-live of a trace is lower than the volume rise time. Another restriction is related to the central flux model. The model considered in the code assumes that exist one central compartment (e.g., blood), that connect the flow with all compartments, and the flow between other compartments is not included.Typical running time: Depends on the choice for calculations. Using the Derivative Method the time is very short (a few minutes) for any number of compartments considered. When the Gauss-Marquardt iterative method is used the calculation time can be approximately 5-6 hours when similar to 15 compartments are considered. (C) 2006 Elsevier B.V. All rights reserved.

A model for the Schottky anomaly in metallic Nd2-yCeyCuO4

We present a simple model for the doped compound Nd2-yCevCuO4, in order to explain some recent experimental results on the latter. Within a Hartree-Fock context, we start from an impurity Anderson-like model and consider the magnetic splitting of the Nd-4f ground state Kramers doublet due to exchange interactions with the ordered Cu moments. Our results are in very good agreement with the experimental data, yielding a Schottky anomaly peak for the specific heat that reduces its amplitude, broadens and shifts to lower temperatures, upon Ce doping. For overdoped compounds at low temperatures, the specific heat behaves linearly and the magnetic susceptibility is constant. A smooth transition from this Fermi liquid-like behavior occurs as temperature is increased and, at high temperatures, the susceptibility exhibits a Curie-like behavior. Finally, we discuss some improvements our model is amenable to incorporate, (C) 1998 Elsevier B.V. B.V. All rights reserved.

Gap solitons in superfluid boson-fermion mixtures

Using coupled equations for the bosonic and fermionic order parameters, we construct families of gap solitons (GSs) in a nearly one-dimensional Bose-Fermi mixture trapped in a periodic optical-lattice (OL) potential, the boson and fermion components being in the states of the Bose-Einstein condensation and Bardeen-Cooper-Schrieffer superfluid, respectively. Fundamental GSs are compact states trapped, essentially, in a single cell of the lattice. Full families of such solutions are constructed in the first two band gaps of the OL-induced spectrum, by means of variational and numerical methods, which are found to be in good agreement. The families include both intragap and intergap solitons, with the chemical potentials of the boson and fermion components falling in the same or different band gaps, respectively. Nonfundamental states, extended over several lattice cells, are constructed too. The GSs are stable against strong perturbations.

NEAR-RESONANT SCATTERING FROM NONSYMMETRIC DIMERS - APPLICATIONS TO SUBSTITUTED POLYANILINES

In this work we show that, beyond the prediction of the random dimer model [Wu and Phillips, Phys. Rev. Lett. 66, 1366 (1991)], it is possible to have near resonant scattering from nonsymmetric dimers. It is shown by direct density of states calculations as well as by a procedure similar to the random dimer model that protonated chains of alkyl-substituted polyanilines support extended electronic states at the Fermi energy when a disordered distribution of symmetric or asymmetric bipolarons is present. An extension of the random dimer model to include resonant scattering by nonsymmetric dimers is proposed.

RITZ ANALYSIS OF THE FOURIER SPECTRUM OF CH3OH BETWEEN 350 AND 950 CM(-1)

A new ''Ritz'' program has been used for revising and expanding the assignment of the Fourier transform infrared and far-infrared spectrum of CH3OH. This program evaluates the energy levels involved in the assigned transitions by the Rydberg-Ritz combination principle and can tackle such perturbations as Fermi-type resonances or Coriolis interactions. Up to now this program has evaluated the energies of 2768 levels belonging to A-type symmetry and 4133 levels belonging to E-type symmetry of CH3OH. Here we present the assignment of almost 9600 lines between 350 and 950 cm(-1). The Taylor expansion coefficients for evaluating the energies of the levels involved in the transitions are also given. All of the lines presented in this paper correspond to transitions involving torsionally excited levels within the ground vibrational state. (C) 1995 Academic Press, Inc.

Mechanism of conduction in doped polyaniline

The conductivity of H2SiF6-doped emeraldine polymers is studied as a function of temperature in the range 50 less than or equal to T less than or equal to 180 K. The dopant concentration of the samples varies between 0.1 M and 1.0 M. The temperature dependence of the do electrical conductivity gives evidence for a transport mechanism based on variable-range hopping in three dimensions. Using Mott's formula for the de conductivity, physically meaningful values of the density of states at the Fermi energy, the hopping energy and hopping distance are calculated.