Theoretical analysis of the energy levels induced by oxygen vacancies and the doping process (Co, Cu and Zn) on SnO2 (110) surface models

Density functional calculation at B3LYP level was employed to study the surface oxygen vacancies and the doping process of Co, Cu and Zn on SnO2 (110) surface models. Large clusters, based on (SnO2)(15) models, were selected to simulate the oxidized (Sn15O30), half-reduced (Sn15O29) and the reduced (Sn15O28) surfaces. The doping process was considered on the reduced surfaces: Sn13Co2O28, Sn13Cu2O28 and Sn13Zn2O28. The results are analyzed and discussed based on a calculation of the energy levels along the bulk band gap region, determined by a projection of the monoelectron level structure on to the atomic basis set and by the density of states. This procedure enables one to distinguish the states coming from the bulk, the oxygen vacancies and the doping process, on passing from an oxidized to a reduced surface, missing bridge oxygen atoms generate electronic levels along the band gap region, associated with 5s/5p of four-/five-fold Sn and 2p of in-plane O centers located on the exposed surface, which is in agreement with previous theoretical and experimental investigations. The formation energy of one and two oxygen vacancies is 3.0 and 3.9 eV, respectively. (C) 2001 Elsevier B.V. B.V. All rights reserved.

Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2(110) surfaces and the interaction with O-2

The structural and electronic properties of bulk and both oxidized and reduced SnO2(110) surfaces as well as the adsorption process of O-2 on the reduced surface have been investigated by periodic DFT calculations at B3LYP level. The lattice parameters, charge distribution, density of states and band structure are reported for the bulk and surfaces. Surface relaxation effects have been explicitly taken into account by optimizing slab models of nine and seven atomic layers representing the oxidized and reduced surfaces, respectively. The conductivity behavior of the reduced SnO2(110) surface is explained by a distribution of the electrons in the electronic states in the band gap induced by oxygen vacancies. Three types of adsorption approaches of O-2 on the four-fold tin at the reduced SuO(2)(110) surface have been considered. The most exothermic channel corresponds to the adsorption of O-2 parallel to the surface and to the four-fold tin row, and it is believed to be associated with the formation of a peroxo O-2(2-) species. The chemisorption of O-2 on reduced SnO2(110) surface causes a significant depopulation of states along the band gap and it is shown to trap the electrons in the chemisorbed complex producing an electron-depleted space-charge layer in the inner surface region of the material in agreement with some experimental evidences. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Polyurethane coating with thin polymer films produced by plasma polymerization of diglyme

Aqueous-based polyurethane dispersions have been widely utilized as lubricants in textile, shoes, automotive, biomaterial and many other industries because they are less aggressive to surrounding environment. In this work thin films with different thickness were deposited on biocompatible polyurethane by plasma polymerization process using diethylene glycol dimethyl ether (Diglyme) as monomer. Molecular structure of the films was analyzed by Fourier Transform Infrared spectroscopy. The spectra exhibited absorption bands of O-H (3500-3200cm(-1)), C-H (3000-2900cm(-1)), C=O (1730-1650cm(-1)), C-O and C-O-C bonds at 1200-1600cm(-1). The samples wettability was evaluated by measurements of contact angle using different liquids such as water, glycerol, poly-ethane and CMC. The polyurethane surface showed hydrophilic behavior after diglyme plasma-deposition with contact angle dropping from 85(0) to 22(0). Scanning Electron Microscopy revealed that diglyme films covered uniformly the polyurethane surfaces ensuring to it a biocompatible characteristic.

The effect of WC-17Co thermal spray coating by HVOF and hard chromium electroplating on the fatigue life and abrasive wear resistance of AISI 4340 high strength steel

One of the most interesting alternatives for replacement of hard chrome plating is tungsten carbide thermal spray coating applied by the high velocity oxy-fuel (HVOF) process which presents a safer, cleaner and less expensive alternative to chromium plating. The objective of this research is to compare the influence of the tungsten carbide-17cobalt (WC- 17Co) coating applied by high velocity oxy fuel (HVOF) process with that of hard-chromium electroplating on the fatigue strength and abrasive wear of AISI 4340 steel.

Comparison of non-Ohmic accelerated ageing of the ZnO- and SnO2-based voltage dependent resistors

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

The influence of area/volume ratio on microstructure and non-Ohmic properties of SnO2-based varistor ceramic blocks

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

Effect of WC-10%Co-4%Cr coating on the Ti-6Al-4V alloy fatigue strength

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Influence of degradation on the electrical conduction process in ZnO and SnO2-based varistors

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

Evaluation of WC-10Ni thermal spraying coating by HVOF on the fatigue and corrosion AISI 4340 steel

Shot peening is a surface process widely used to improve the fatigue strength of materials, through compressive residual stresses induced in their surface layers. Considering mechanical components for high responsible applications, wear and corrosion control is currently accomplished by the use of coated materials.In the case of chrome plating or hard anodizing, lower fatigue strength in comparison to uncoated parts are associated to high residual tensile stresses and microcracks density. Under constant or variable amplitude loading microcracks will propagate and cross the interface coating substrate without impediment.The aim of the present study is to analyze the influence of WC-10Ni coating applied by HVOF process on the axial fatigue strength of AISI 4340 steel. The shot peening effect on the fatigue performance of coated AISI 4340 steel was also evaluated. The fractured fatigue specimens were investigated using a scanning electron microscope in order to obtain information about the crack initiation points. (C) 2010 Published by Elsevier Ltd.

Evaluation of WC-10Ni thermal spray coating with shot peening on the fatigue strength of AISI 4340 steel

Fatigue failure is a result of a crack initiation and propagation, in consequence of a cyclical load. In aeronautical components as landing gear the fatigue strength is an important parameter to be considered in project, as well as the corrosion and wear resistance.The thermal sprayed HVOF technology it's normally used to protect components against wear and corrosion, and are being considerate an alternative to replace chromium by the aeronautical industry. With respect to fatigue life, the HVOF technique induces residual stress on the interface. In the case of tensile residual stresses, the initiation and propagation phases of fatigue process are accelerated; on the other hand, compressive residual stresses close to the surface may increase fatigue life. The technique to improve the coated materials fatigue strength is the shot peening process, which induces residual stress in the surface in order to delay the nucleation and propagation process.The aim of present study is to compare the influence of WC-10 Ni coating applied by HVOF on the fatigue strength of AISI 4340 steel, with and without shot peening. S-N curves were obtained in axial fatigue tests for material base, and tungsten carbide coated specimens. (C) 2010 Published by Elsevier Ltd.

Fatigue in AISI 4340 steel thermal spray coating by HVOF for aeronautic application

Currently, high-strength materials, particularly AISI 4340 steel, are used in several landing gear components. Due to the high resistance to wear and corrosion required, the components are usually coating by hard chromium. This treatment produces waste, such as Cr+ 6 (hexavalent chromium), generally after applying the coating of hard chromium which is harmful to health and the environment. The process HVOF (High-velocity-oxygen-fuel) is considered a promising technique for deposition of hard chromium alternative coatings, for example, coatings based on tungsten carbide. This technique provides high hardness and good wear strength and more resistance to fatigue when compared to AISI 4340 hard chromium coated. To minimize loss fatigue due to the process of deposition, shot peening is used to obtain a compressive residual stress. The aim of this study was to analyze the effects of the tungsten carbide thermal spray coating applied by the HVOF, in comparison to the conventional hard chromium electroplating on the AISI 4340 high strength steel behavior in fatigue. Optical microscopy and scanning electron microscopy were used to observe crack origin sites, thickness and adhesion of the coating. (C) 2010 Published by Elsevier Ltd.

Influence of thermal annealing treatment in oxygen atmosphere on grain boundary chemistry and non-ohmic properties of SnO2 center dot MnO polycrystalline semiconductors

The present work studied the influence of thermal treatment in oxygen rich atmosphere on heterogenous junctions in Mn-doped SnO2 polycrystalline system presenting varistor behavior. The samples were prepared by conventional oxide mixture methodology, and were submitted to heat treatment in oxygen rich atmosphere at 900 degrees C for 2h. The samples were characterized by X-ray diffraction, scanning electron microscopy, dc and ac electrical measurements. The results showed that there is an evident relationship between the microstructure heterogeneity and non-ohmic electrical properties. It was found that for this SnO2 center dot MnO-based varistor system the heat treatment in oxygen rich atmosphere does not necessarily increase the varistors properties, which was related to the decrease in the grain boundary resistance. The results are compared with Co-doped SnO2 varistors and ZnO based varistors. (C) 2008 WILEY-VCH Verlay GmbH & Co. KGaA, Weinheim.

Surface and Biomechanical Study of Titanium Implants Modified by Laser With and Without Hydroxyapatite Coating, in Rabbits

Surface and biomechanical analysis of titanium implant surfaces modified by laser beam with and without hydroxyapatite. Titanium implants with 3 different surfaces were inserted into the tibias of 30 rabbits: group I (GI) machined surface (control group), group II irradiated with laser (GII), and group III irradiated with laser and hydroxyapatite coating applied-biomimetic method (GIII). Topographical analysis with scanning electron microscopy was made before surgery in the tibia. These rabbits were distributed into 2 periods of observation: 4 and 8 weeks postsurgery, after which biomechanical analysis (removal torque) was conducted. Statistical analysis used the Student-Newman-Keuls method. Surface showed roughness in GII and GIII. Biomechanical analysis demonstrated values with significant differences in GII and GIII. Titanium implants modified by laser irradiation can increase osseointegration during the initial phase.

Biomimetic calcium phosphate coating on Ti-7.5Mo alloy for dental application

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

The Effect of Coating Patterns with Spinel-Based Investment on the Castability and Porosity of Titanium Cast into Three Phosphate-Bonded Investments

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