Temperature dependence of structural and electronic properties of the spin-liquid candidate κ-(BEDT-TTF) 2Cu 2(CN) 3

We investigate the effect that the temperature dependence of the crystal structure of a two-dimensional organic charge-transfer salt has on the low-energy Hamiltonian representation of the electronic structure. For that, we determine the crystal structure of κ-(BEDT-TTF) 2Cu 2(CN) 3 for a series of temperatures between T=5 and 300 K by single crystal X-ray diffraction and analyze the evolution of the electronic structure with temperature by using density functional theory and tight binding methods. We find a considerable temperature dependence of the corresponding triangular lattice Hubbard Hamiltonian parameters. We conclude that even in the absence of a change of symmetry, the temperature dependence of quantities like frustration and interaction strength can be significant and should be taken into account. © 2012 American Physical Society.

Altering the adsorptive and electronic properties of Pt through poly(vinyl alcohol) adsorption

In the present paper we investigated the effect of adsorbed PVA on Pt electrodes on classic electrochemical processes such as hydrogen UPD, oxygen reduction and CO electro-oxidation. Upon adsorption PVA blocks roughly 50% of the hydrogen sites and can not be removed from the Pt surface through cycling in the potential range of 0.05-1.0 V vs. RHE. Potentiodynamic experiments under controlled hydrodynamic conditions provided by rotating disk electrode experiments showed a negative impact of the adsorbed PVA on the oxygen reduction reaction (ORR). Cyclic-voltammetry results revealed that not even CO was able to remove PVA from the Pt surface. Regarding the oxidation of CO, the adsorbed polymer positively shifted the CO oxidation peak potential, therefore higher potentials are required to free the Pt surface from CO poisoning. In situ Fourier transform infrared spectroscopy evidenced that the presence of PVA shifted the linearly bound CO frequency toward higher wavenumbers, a process found to be independent of the Pt surface orientation. In situ electrochemical X-ray absorption spectroscopy results showed that PVA also impacted the electronic properties of platinum by decreasing the occupancy of the Pt conducting 5d band. Our findings clearly support the efforts toward understanding the nature of the interaction between polymers and metallic surfaces as well as the impact on technological applications (e.g. in PEMFCs). © 2013 Elsevier Ltd. All rights reserved.

Interface formation of nanostructured heterojunction SnO 2:Eu/GaAs and electronic transport properties

Thin films of tin dioxide (SnO2) are deposited by the sol-gel-dip-coating technique, along with GaAs layers, deposited by the resistive evaporation technique. The as-built heterojunction has potential application in optoelectronic devices, combining the emission from the rare-earth doped transparent oxide (Eu3+-doped SnO2 presents very efficient red emission) with a high mobility semiconductor. The advantage of this structure is the possibility of separation of the rare-earth emission centers from the electron scattering, leading to a strongly indicated combination for electroluminescence. Electrical characterization of the heterojunction SnO2:Eu/GaAs shows a significant conductivity increase when compared to the conductivity of the individual films, and the monochromatic light irradiation (266 nm) at low temperature of the heterojunction GaAs/SnO2:Eu leads to intense conductivity increase. Scanning electron microscopy (SEM) of the heterojunction cross section shows high adherence and good morphological quality of the interfaces substrate/SnO2 and SnO2/GaAs, even though the atomic force microscopy (AFM) image of the GaAs surface shows disordered particles, which increases with sample thickness. On the other hand, the good morphology of the SnO2:Eu surface, shown by AFM, assures the good electrical performance of the heterojunction. The observed improvement on the electrical transport properties is probably related to the formation of short conduction channels at the semiconductors interface, which may exhibit two-dimensional electron gas (2DEG) behavior. © 2012 Elsevier B.V. All rights reserved.

First-Principles Study of Pressure-Induced Phase Transitions and Electronic Properties of Ag2MoO4

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Insight into the Effects of Fe Addition on the Local Structure and Electronic Properties of SrTiO3

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Structural and electronic analysis of the atomic scale nucleation of Ag on alpha-Ag2WO4 induced by electron irradiation

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

Correlation between structural and electronic order-disorder effects and optical properties in ZnO nanocrystals

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

A DFT Study of Structural and Electronic Properties of ZnS Polymorphs and its Pressure-Induced Phase Transitions

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Theoretical study of molecular and electronic structures of 5(1) knot systems: two-layered ONIOM calculations

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

A relationship between structural and electronic order-disorder effects and optical properties in crystalline TiO2 nanomaterials

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

Diagnóstico da gestão e do gerenciamento dos resíduos eletroeletrônicos gerados no campus da Faculdade de Engenharia de Guaratinguetá/Unesp

Currently, in Brazil, the quantity and quality of new types of wastes, discarded without criteria in urban areas, has been responsible for considerable impacts on public health and the environment. According to a report prepared by the Institute of Applied Economic Research (IPEA), the country loses about U.S. $ 8 billion annually, due lack of waste recycling, which go directly into landfills or dumps. Among these solid wastes are waste electrical and electronic equipment (WEEE), whose characteristics are complex, by having in its composition substances of high value-added and other health hazards which require different treatment of household waste. Aiming to fill the gap in Brazilian environmental legislation, on 02/08/2010, was sanctioned the National Policy Solid Waste (Law No. 12,305), already regulated on 23/12/2010 (Decree No 7404), whose based on the following principles:reduction of waste generation and toxicity of shared responsibility, proper planning management, social inclusion of waste pickers and sustainable production and consumption. Given the above, this work presented here, aims generally present a diagnosis of the current situation of electronic waste generated in the Faculty of Engineering, Campus Guaratinguetá, FEG / UNESP, to provide data for management and management of these waste, based on sustainability, the economic losses and minimizing environmental impacts and public health related to the flow and the improper disposal of these wastes

Contribuições para a melhoria da gestão de resíduos de eletroeletrônicos no Brasil, no contexto da sustentabilidade ambiental

Pós-graduação em Engenharia de Produção - FEG

A methodology and a tool to design of mixed-signal technology

This paper presents a tool box developed to read files describing a SIMULINK® model and translates it into a structural VHDL-AMS description. In translation process, all files and directory structures to simulate the translated model on SystemVision™ environment is generate. The tool box named MS2SV was tested by three models of commercially available digital-to-analogue converters. All models use the R2R ladder network to conversion, but the functionality of these three components is different. The methodology of conversion of the model is presents together with sort theory about R-2R ladder network. In the evaluation of the translated models, we used a sine waveform input signal and the waveform generated by D/A conversion process was compared by FFT analysis. The results show the viability of this type of approach. This work considers some of challenges set by the electronic industry for the further development of simulation methodologies and tools in the field of mixed-signal technology. © 2007 IEEE.

Hybrid three-phase HPF rectifier with programmable input current THD, using FPGA device and VHDL language

In this paper is proposed and analyzed a digital hysteresis modulation using a FPGA (Field Programmable Gate Array) device and VHDL (Hardware Description Language), applied at a hybrid three-phase rectifier with almost unitary input power factor, composed by parallel SEPIC controlled single-phase rectifiers connected to each leg of a standard 6-pulses uncontrolled diode rectifier. The digital control allows a programmable THD (Total Harmonic Distortion) at the input currents, and it makes possible that the power rating of the switching-mode converters, connected in parallel, can be a small fraction of the total average output power, in order to obtain a compact converter, reduced input current THD and almost unitary input power factor. Finally, the proposed digital control, using a FPGA device and VHDL, offers an important flexibility for the associated control technique, in order to obtain a programmable PFC (Power Factor Correction) hybrid three-phase rectifier, in agreement with the international standards (IEC, and IEEE), which impose limits for the THD of the AC (Alternate Current) line input currents. The proposed strategy is verified by experiments. © 2008 IEEE.

Environment for teaching and development of mobile robot systems

Using robots for teaching is one approach that has gathered good results on Middle-School, High-School and Universities. Robotics gives chance to experiment concepts of a broad range of disciplines, principally those from Engineering courses and Computer Science. However, there are not many kits that enables the use of robotics in classroom. This article describes the methodologies to implement tools which serves as test beds for the use of robotics to teach Computer Science and Engineering. Therefore, it proposes the development of a flexible, low cost hardware to integrate sensors and control actuators commonly found on mobile robots, the development of a mobile robot device whose sensors and actuators allows the experimentation of different concepts, and an environment for the implementation of control algorithms through a computer network. This paper describes each one of these tools and discusses the implementation issues and future works. © 2010 IEEE.