Deposition and characterization of pure and Cd doped SnO2 thin films by the nebulizer spray pyrolysis (NSP) technique

Pure and cadmium doped tin oxide thin films were deposited on glass substrates from aqueous solution of cadmium acetate, tin (IV) chloride and sodium hydroxide by the nebulizer spray pyrolysis (NSP) technique. X-ray diffraction reveals that all films have tetragonal crystalline structure with preferential orientation along (200) plane. On application of the Scherrer formula, it is found that the maximum size of grains is 67 nm. Scanning electron microscopy shows that the grains are of rod and spherical in shape. Energy dispersive X-ray analysis reveals the average ratio of the atomic percentage of pure and Cd doped SnO2 films. The electrical resistivity is found to be 10(2) Omega cm at higher temperature (170 degrees C) and 10(3) Omega cm at lower temperature (30 degrees C). Optical band gap energy was determined from transmittance and absorbance data obtained from UV-vis spectra. Optical studies reveal that the band gap energy decreases from 3.90 eV to 3.52 eV due to the addition of Cd as dopant with different concentrations.

Hardening and corrosion behaviour of copper added SUS 304H austenitic steels subjected to thermal cycling

This research was aimed at determining optimum Cu content for the alloy design of SUS 30411 austenitic steels having enhanced heat and corrosion resistance. Samples of the steel containing 1, 3, and 5 wt.% Cu were subjected to repeated heating and cooling to a temperature of 760 degrees C and to a maximum of 15 cycles. Hardness measurement and the corrosion behaviour in 1M NaCl solution were evaluated. The hardness increases with an increase in the number of heating cycles for the three compositions. The hardening response to the thermal cycles is however higher for the 1 wt.% Cu composition and decreases with an increase in the Cu wt.%. The SUS 30411 steel containing 3 wt.% Cu exhibited the least susceptibility to corrosion in the 1M NaCl solution irrespective of the number of heating cycles. The SUS 30411 steel containing 1 wt.% Cu was found to exhibit the highest susceptibility to corrosion for all heating cycles compared.

Low temperature and rapid deposition of ZnO nanorods on Si(100) substrate with tunable optical emissions

This research article describes the large scale fabrication of ZnO nanorods of various shapes on Si(100) substrate, by using metalorganic precursor of Zn in solutions with microwave as the source of energy. This is a low temperature, environmental friendly and rapid thin film deposition process, where ZnO nanorods (1-3 mu m length) were grown only in 1-5 min of microwave irradiation. All as-synthesized nanorods are of single crystalline grown along the < 0001 > crystallographic direction. The coated nanorods were found to be highly dense having a thickness of similar to 1-3 mu m over the entire area 20 mm x 20 mm of the substrate. The ZnO thin film comprising of nanorods exhibits good adhesion with the substrate. A possible mechanism for the initial nucleation and growth of ZnO is discussed. A cross over from a strong visible light emission to an enhanced UV emission is observed, when the nature of the surfactants are varied from polymeric to ionic and nonionic. The position of the chromaticity coordinates in yellow region of the color space gives an impression of white light generation from these coatings by exciting with a blue laser.

Effect of thermal and thermo-mechanical cycling on the microstructure of Ni-rich NiTi shape memory alloys

Microstructural changes of Ni-rich NiTi shape memory alloy during thermal and thermo-mechanical cycling have been investigated using Electron Back Scattered Diffraction. A strong dependence of the orientation of the prior austenite grain on the misorientation development has been observed during thermal cycling and thermo-mechanical cycling. This effect is more pronounced at the grain boundaries compared to grain interior. At a larger applied strain, the volume fraction of stabilized martensite phase increases with increase in the number of cycling. Deformation within the martensite leads to stabilization of martensitic phase even at temperatures slightly above the austenite finish temperature. Modulus variation with respect to temperature has been explained on the basis of martensitic transformation.

Investigating thermal stability of structural defects and its effect on d(0) ferromagnetism in undoped SnO2

The effect of annealing on structural defects and d(0) ferromagnetism in SnO2 nanoparticles prepared by solution combustion method is investigated. The as-synthesized SnO2 nanoparticles were annealed at 400-800 degrees C for 2 h, in ambient conditions. The crystallinity, size, and morphology of the samples were studied using x-ray diffraction and transmission electron microscopy studies. The annealing results in grain growth due to coarsening as well as reduction in oxygen vacancies as confirmed by Raman spectroscopy, photoluminescence spectroscopy, and x-ray photoelectron spectroscopy. All the as synthesized and annealed samples exhibit room temperature ferromagnetism (RTFM) with distinct hysteresis loops and the saturation magnetization as high as similar to 0.02 emu/g in as-synthesized samples. However, the saturation magnetization is drastically reduced with increasing annealing temperature. Further the presence of singly charged oxygen vacancies (V-o(-) signal at g-value 1.99) is confirmed by electron paramagnetic resonance studies, which also diminish with increasing annealing temperature. The observed diminishing RTFM and simultaneous evidences of diminishing O vacancies clearly indicate that RTFM is driven by defects in oxide lattice and confirms primary role of oxygen vacancies in inducing ferromagnetic ordering in metal oxide semiconductors. The study also provides improved fundamental understanding regarding the ambiguity in the origin of intrinsic RTFM in semiconducting metal oxides and projects their technological application in the field of spintronics. (C) 2013 AIP Publishing LLC.

A new 3D cadmium(II) coordination polymer having mu(4)-oxalato, mu-aquo and mu-chlorido bridges: crystal structure, solid state fluorescence and thermal behavior

A new 3D cadmium(II) coordination polymer, Cd(C2O4)(0.5)Cl(H2O)](n) (1) has been synthesized from a mixture of CdCl2. H2O and (NH4)(2)C2O4 in a slightly acidic pH. Its molecular structure was determined by single crystal X-ray diffraction which reveals that the new polymeric structure consists of simultaneous mu(4)-oxalato, mu-aquo, and mu-chlorido bridges between the metal centers, embedded in distorted pentagonal bipyramidal geometries. On thermal analysis compound exhibits high thermal stability up to 330 degrees C. Compound 1 also exhibits strong fluorescent emission. (c) 2013 Elsevier B.V. All rights reserved.

A model of coupled thermal, mechanical, and electrostatic field effects in III-N thin film heterostructures

A one-dimensional coupled multi-physics based model has been developed to accurately compute the effects of electrostatic, mechanical, and thermal field interactions on the electronic energy band structure in group III-nitrides thin film heterostructures. Earlier models reported in published literature assumes electro-mechanical field with uniform temperature thus neglecting self-heating. Also, the effects of diffused interface on the energy band structure were not studied. We include these effects in a self-consistent manner wherein the transport equation is introduced along with the electro-mechanical models, and the lattice structural variation as observed in experiments are introduced at the interface. Due to these effects, the electrostatic potential distribution in the heterostructure is altered. The electron and hole ground state energies decrease by 5% and 9%, respectively, at a relative temperature of 700 K, when compared with the results obtained from the previously reported electro-mechanical model assuming constant and uniform temperature distribution. A diffused interface decreases the ground state energy of electrons and holes by about 11% and 9%, respectively, at a relative temperature of 700 K when compared with the predictions based on uniform temperature based electro-mechanical model. (C) 2013 AIP Publishing LLC.

Photo-thermal modifications in ultrafast laser inscribed chalcogenide glass waveguides

We report here, a finite difference thermal diffusion (FDTD) model for controlling the cross-section and the guiding nature of the buried channel waveguides fabricated on GeGaS bulk glasses using the direct laser writing technique. Optimization of the laser parameters for guiding at wavelength 1550 nm is done experimentally and compared with the theoretical values estimated by FDTD model. The mode field diameter (MFD) between 5.294 mu m and 24.706 mu m were attained by suitable selection of writing speed (1mm/s to 4 mm/s) and pulse energy (623 nJ to 806 nJ) of the laser at a fixed repletion rate of 100 kHz. Transition from single-mode to multi-mode waveguide is observed at pulse energy 806nJ as a consequence of heat accumulation. The thermal diffusion model fits well for single-mode waveguides with the exception of multi-mode waveguides.

Device Fabrication of insoluble donor-acceptor-donor structured molecule by pulsed laser deposition- A comparative study using different laser source

Many of the conducting polymers though having good material property are not solution processable. Hence an alternate method of fabrication of film by pulsed laser deposition, was explored in this work. PDTCPA, a donor-acceptor-donor type of polymer having absorption from 900 nm to 300 nm was deposited by both UV and IR laser to understand the effect of deposition parameters on the film quality. It was observed that the laser ablation of PDTCPA doesn't alter its chemical structure hence retaining the chemical integrity of the polymer. Microscopic studies of the ablated film shows that the IR laser ablated films were particulate in nature while UV laser ablated films are deposited as smooth continuous layer. The morphology of the film influences its electrical characteristics as current-voltage characteristic of these films shows that films deposited by UV laser are p rectifying while those by IR laser are more of resistor in nature.

Information content of molecular graph and prediction of gas phase thermal entropy of organic compounds

Entropy is a fundamental thermodynamic property that has attracted a wide attention across domains, including chemistry. Inference of entropy of chemical compounds using various approaches has been a widely studied topic. However, many aspects of entropy in chemical compounds remain unexplained. In the present work, we propose two new information-theoretical molecular descriptors for the prediction of gas phase thermal entropy of organic compounds. The descriptors reflect the bulk and size of the compounds as well as the gross topological symmetry in their structures, all of which are believed to determine entropy. A high correlation () between the entropy values and our information-theoretical indices have been found and the predicted entropy values, obtained from the corresponding statistically significant regression model, have been found to be within acceptable approximation. We provide additional mathematical result in the form of a theorem and proof that might further help in assessing changes in gas phase thermal entropy values with the changes in molecular structures. The proposed information-theoretical molecular descriptors, regression model and the mathematical result are expected to augment predictions of gas phase thermal entropy for a large number of chemical compounds.

Post-deposition annealing influenced structural and electrical properties of Al/TiO2/Si gate capacitors

Titanium dioxide (TiO2) thin films are deposited on unheated p-Si (100) and quartz substrates by employing DC reactive magnetron sputtering technique. The effect of post-deposition annealing in air at temperatures in the range 673-973 K on the structural, electrical, and dielectric properties of the films was investigated. The chemical composition of the TiO2 films was analyzed with X-ray photoelectron spectroscopy. The surface morphology of the films was studied by atomic force microscope. The optical band gap of the as-deposited film was 3.50 eV, and it increased to 3.55 eV with the increase in annealing temperature to 773 K. The films annealed at higher temperature of 973 K showed the optical band gap of 3.43 eV. Thin film capacitors were fabricated with the MOS configuration of Al/TiO2/p-Si. The leakage current density of the as-deposited films was 1.2 x 10(-6) A/cm(2), and it decreased to 5.9 x 10(-9) A/cm(2) with the increase in annealing temperature to 973 K. These films showed high dielectric constant value of 36. (C) 2013 Elsevier Ltd. All rights reserved.

Facile synthesis of carbon doped TiO2 nanowires without an external carbon source and their opto-electronic properties

The present study demonstrates a simple protocol for the preparation of one dimensional (1D) oxidized titanium carbide nanowires and their opto-electronic properties. The oxidized titanium carbide nanowires (Ox-TiC-NW) are prepared from TiC nanowires (TiC-NW) that are in turn synthesized from micron sized TiC particles using the solvothermal technique. The Ox-TiC-NW is characterized by X-ray diffraction, UV-Vis spectroscopy, transmission electron microscopy (TEM), scanning electron microscopy (SEM) and Raman spectroscopy. Thermal oxidation of TiC-NW yields carbon doped TiO2-NW (C-TiO2-NW), a simple methodology to obtain 1D C-TiO2-NW. Temperature dependent Raman spectra reveal characteristic bands for TiO2-NW. Electrical characterization of individual C-TiO2-NW is performed by fabricating a device structure using the focused ion beam deposition technique. The opto-electronic properties of individual C-TiO2-NW demonstrate visible light activity and the parameters obtained from photoconductivity measurements reveal very good sensitivity. This methodology opens up the possibility of using C-TiO2-NW in electronic and opto-electronic device applications.

RF plasma MOCVD of Y2O3 thin films: Effect of RF self-bias on the substrates during deposition

Yttrium oxide (Y203) thin films have been deposited by radio frequency plasma assisted metal organic chemical vapor deposition (MOCVD) process using (2,2,6,6-tetramethy1-3,5-heptanedionate) yttrium (commonly known as Y(thd)3) precursor in a plasma of argon and oxygen gases at a substrate temperature of 350 C. The films have been deposited under influence of varying RF self-bias (-50 V to 175 V) on silicon, quartz, stainless steel and tantalum substrates. The deposited coatings are characterized by glancing angle X-ray diffraction (GIXRD), Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), spectroscopic ellipsometry and scanning electron microscopy (SEM). GIXRD and FTIR results indicate deposition of Y2 03 (BCC structure) in all cases. However, XPS results indicate nonstoichiometric cubic phase deposition on the surface of deposited films. The degree of nonstoichiometry varies with bias during deposition. Ellipsometry results indicate that the refractive index for the deposited films is varying from 1.70 to 1.83 that is typical for Y203. All films are transparent in the investigated wavelength range 300-1200 nm. SEM results indicate that the microstructure of the films is changing with applied bias. Results indicate that it is possible to deposit single phase cubic Y203 thin films at low substrate temperature by RF plasma MOCVD process. RF self-bias that decides about the energy of impinging ions on the substrates plays an important role in controlling the texture of deposited Y203 films on the substrates. Results indicate that to control the structure of films and its texture, it is important to control the bias on the substrate during deposition. The films deposited at high bias level show degradation in the crystallinity and reduction of thickness. (C) 2013 Elsevier B.V. All rights reserved.

Thermal Efficiency of LPG and PNG-fired burners: Experimental and numerical studies

In the present work, the thermal efficiency of a conventional domestic burner is studied both experimentally and numerically for liquefied petroleum gas (LPG) and piped natural gas (PNG) fuels. Three-dimensional computational fluid dynamic (CFD) modeling of the steady-state flow, combustion and heat transfer to the vessel is reported for the first time in such burners. Based on the insights from the CFD model concerning the flow and heat transfer, design modifications in the form of a circular insert and a radiant sheet are proposed which are observed to increase thermal efficiency for LPG. For PNG, predictions showed that loading height was a much more important factor affecting efficiency than these design modifications and an optimal loading height could be identified. Experiments confirm these trends by showing an improvement in burner thermal efficiency of 2.5% for LPG with the modified design, and 10% for PNG with the optimal loading height, demonstrating that the CFD modeling approach developed in the present work is a useful tool to study domestic burners. (C) 2013 Elsevier Ltd. All rights reserved.

Glycidyl azide polymer crosslinked through triazoles by click chemistry: curing, mechanical and thermal properties

Glycidyl azide polymer (GAP) was cured through click chemistry by reaction of the azide group with bispropargyl succinate (BPS) through a 1,3-dipolar cycloaddition reaction to form 1,2,3-triazole network. The properties of GAP-based triazole networks are compared with the urethane cured GAP-systems. The glass transition temperature (T-g), tensile strength, and modulus of the system increased with crosslink density, controlled by the azide to propargyl ratio. The triazole incorporation has a higher T-g in comparison to the GAP-urethane system (T-g-20 degrees C) and the networks exhibit biphasic transitions at 61 and 88 degrees C. The triazole curing was studied using Differential Scanning Calorimetry (DSC) and the related kinetic parameters were helpful for predicting the cure profile at a given temperature. Density functional theory (DFT)-based theoretical calculations implied marginal preference for 1,5-addition over 1,4-addition for the cycloaddition between azide and propargyl group. Thermogravimetic analysis (TG) showed better thermal stability for the GAP-triazole and the mechanism of decomposition was elucidated using pyrolysis GC-MS studies. The higher heat of exothermic decomposition of triazole adduct (418kJmol(-1)) against that of azide (317kJmol(-1)) and better mechanical properties of the GAP-triazole renders it a better propellant binder than the GAP-urethane system.