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Journal Details
Format
Journal
eISSN
2083-134X
First Published
16 Apr 2011
Publication timeframe
4 times per year
Languages
English

Search

Volume 34 (2016): Issue 1 (March 2016)

Journal Details
Format
Journal
eISSN
2083-134X
First Published
16 Apr 2011
Publication timeframe
4 times per year
Languages
English

Search

30 Articles

Research Article

Open Access

High accuracy computational methods for behavioral modeling of thick-film resistors at cryogenic temperatures

Published Online: 27 Apr 2016
Page range: 212 - 225

Abstract

Abstract

The aim of this work was to elaborate two-dimensional behavioral modeling method of thick-film resistors working in low-temperature conditions. The investigated resistors (made from 5 various resistive inks: 10 resistor coupons, each with 36 resistors with various dimensions), were measured automatically in a cryostat system. The low temperature was achieved in a nitrogen-helium continuous-flow cryostat. For nitrogen used as a freezing liquid the minimal temperature possible to achieve was equal to −195.85 °C (77.3 K). Mathematical model in the form of a multiplication of two polynomials was elaborated based on the above mentioned measurements. The first polynomial approximated temperature behavior of the normalized resistance, while the second one described the dependence of resistance on planar resistors dimensions. Special computational procedures for multidimensional approximation purpose were elaborated. It was shown that proper approximation polynomials and sufficiently exact methods of calculations ensure acceptable modeling errors.

Keywords

  • thick-film resistors
  • cryogenic temperature
  • behavioral modeling
Open Access

Chemically synthesized PbS Nano particulate thin films for a rapid NO2 gas sensor

Published Online: 27 Apr 2016
Page range: 204 - 211

Abstract

Abstract

Rapid NO2 gas sensor has been developed based on PbS nanoparticulate thin films synthesized by Successive Ionic Layer Adsorption and Reaction (SILAR) method at different precursor concentrations. The structural and morphological properties were investigated by means of X-ray diffraction and field emission scanning electron microscope. NO2 gas sensing properties of PbS thin films deposited at different concentrations were tested. PbS film with 0.25 M precursor concentration showed the highest sensitivity. In order to optimize the operating temperature, the sensitivity of the sensor to 50 ppm NO2 gas was measured at different operating temperatures, from 50 to 200 °C. The gas sensitivity increased with an increase in operating temperature and achieved the maximum value at 150 °C, followed by a decrease in sensitivity with further increase of the operating temperature. The sensitivity was about 35 % for 50 ppm NO2 at 150 °C with rapid response time of 6 s. T90 and T10 recovery time was 97 s at this gas concentration.

Keywords

  • sensor
Open Access

Optimized geometry, vibration (IR and Raman) spectra and nonlinear optical activity of p-nitroanilinium perchlorate molecule: A theoretical study

Published Online: 27 Apr 2016
Page range: 192 - 203

Abstract

Abstract

The molecular modeling of p-nitroanilinium perchlorate molecule was carried out by using B3LYP and HSEH1PBE levels of density functional theory (DFT). The IR and Raman spectra were simulated and the assignments of vibrational modes were performed on the basis of relative contribution of various internal co-ordinates. NBO analysis was performed to demonstrate charge transfer, conjugative interactions and the formation of intramolecular hydrogen bonding interactions within PNAPC. Obtained large dipole moment values showed that PNAPC is a highly polarizable complex, and the charge transfer occurs within PNAPC. Hydrogen bonding and charge transfer interactions were also displayed by small HOMO-LUMO gap and molecular electrostatic potential (MEP) surface. The strong evidences that the material can be used as an efficient nonlinear optical (NLO) material of PNAPC were demonstrated by considerable polarizability and hyperpolarizability values obtained at DFT levels.

Keywords

    Open Access

    Structural and electrical properties of chromium substituted nickel ferrite by conventional ceramic method

    Published Online: 27 Apr 2016
    Page range: 185 - 191

    Abstract

    Abstract

    Polycrystalline Cr substituted Ni ferrites [NiCrxFe2−xO4 (0.0 ≤ x ≤ 1.0)] were synthesized by conventional ceramic method and sintered at 1350 °C in air. X-ray diffraction (XRD) patterns showing sharp peaks confirmed the formation of single phase cubic spinel structure. The lattice parameters of the samples were determined from the XRD data using Nelson-Riley extrapolation technique. They were found to decrease with increasing Cr concentration obeying Vegard’s law. X-ray density, bulk density and porosity were also calculated from the XRD data. The variation of DC resistivity with temperature was measured by two-probe method. The DC resistivity was found to decrease with increasing temperature indicating the semiconducting nature of the samples. Activation energy was calculated from the Arrhenius plot. AC resistivity, dielectric constant and loss tangent were measured in the frequency range of 1 kHz to 120 MHz at room temperature.

    Key words

      Open Access

      Synthesis and characterization of Cu-MFI catalyst for the direct medium temperature range NO decomposition

      Published Online: 27 Apr 2016
      Page range: 177 - 184

      Abstract

      Abstract

      In this study the physico-chemical and catalytic properties of copper bearing MFI zeolites (Cu-MFI) with different Si/Al and Si/Cu ratios were investigated. Two different methods for incorporation of metal ions into the zeolite framework were used: the ion exchange from the solution of copper acetate and the direct hydrothermal synthesis. Direct synthesis of a zeolite in the presence of copper-phosphate complexes was expected to generate more active copper species necessary for the desired reaction than the conventional ion exchange method. Direct decomposition of NO was used as a model reaction, because this reaction still offers a very attractive approach to NOX removal. The catalytic properties of zeolite samples were studied using techniques, such as XRD, SEM, EPR and nitrogen adsorption/desorption measurements at 77 K. Results of the kinetic investigation revealed that both methods are applicable for the preparation of the catalysts with active sites capable of catalyzing the NO decomposition. It was found out that Cu-MFI zeolites obtained through direct synthesis are promising catalysts for NO decomposition, especially at lower reaction temperatures. The efficiency of the catalysts prepared by both methods is compared and discussed.

      Keywords

      • Cu-MFI zeolite
      • catalytic properties
      • direct hydrothermal synthesis
      • NO decomposition
      • medium reaction temperature range
      • redox properties
      Open Access

      VO2(B) conversion to VO2(A) and VO2(M) and their oxidation resistance and optical switching properties

      Published Online: 27 Apr 2016
      Page range: 169 - 176

      Abstract

      Abstract

      Vanadium dioxide VO2 has been paid in recent years increasing attention because of its various applications, however, its oxidation resistance properties in air atmosphere have rarely been reported. Herein, VO2(B) nanobelts were transformed into VO2(A) and VO2(M) nanobelts by hydrothermal route and calcination treatment, respectively. Then, we comparatively studied the oxidation resistance properties of VO2(B), VO2(A) and VO2(M) nanobelts in air atmosphere by thermo-gravimetric analysis and differential thermal analysis (TGA/DTA). It was found that the nanobelts had good thermal stability and oxidation resistance below 341 °C, 408 °C and 465 °C in air, respectively, indicating that they were stable in air at room temperature. The fierce oxidation of the nanobelts occurred at 426, 507 and 645 °C, respectively. The results showed that the VO2(M) nanobelts had the best thermal stability and oxidation resistance among the others. Furthermore, the phase transition temperatures and optical switching properties of VO2(A) and VO2(M) were studied by differential scanning calorimetry (DSC) and variable temperature infrared spectra. It was found that the VO2(A) and VO2(M) nanobelts had outstanding thermochromic character and optical switching properties.

      Keywords

        Open Access

        Synthesis and electrical characterization of Ca2Nd4Ti6O20 ceramics

        Published Online: 27 Apr 2016
        Page range: 164 - 168

        Abstract

        Abstract

        Ca2Nd4Ti6O20, a layered perov skite structured material was synthesized via a chemical (citrate sol-gel) route for the first time using nitrates and alkoxide precursors. Phase analysis of a sample sintered at 1625 °C revealed the formation of an orthorhombic (Pbn21) symmetry. The microstructure of the sample after sintering comprised rod-shaped grains of a size of 1.5 to 6.5µm. The room temperature dielectric constant of the sintered sample was 38 at 100 kHz. The remnant polarization (Pr) and the coercive field (Ec) were about 400 μC/cm2 and 8.4 kV/cm, respectively. Impedance spectroscopy revealed that the capacitance (13.7 pF) and activation energy (1.39 eV) of the grain boundary was greater than the capacitance (5.7 pF) and activation energy (1.13 eV) of the grain.

        Keywords

        • sol-gel
        • CaNdTiO
        • electrical properties
        Open Access

        Preliminary comparison of three processes of AlN oxidation: dry, wet and mixed ones

        Published Online: 27 Apr 2016
        Page range: 157 - 163

        Abstract

        Abstract

        Three methods of AlN layers oxidation: dry, wet and mixed (wet with oxygen) were compared. Some physical parameters of oxidized thin films of aluminum nitride (AlN) layers grown on silicon Si(1 1 1) were investigated by means Energy-Dispersive X-ray Spectroscopy (EDS) and Spectroscopic Ellipsometry (SE). Three series of the thermal oxidations processes were carried out at 1012 °C in pure nitrogen as carrying gas and various gas ambients: (a) dry oxidation with oxygen, (b) wet oxidation with water steam and (c) mixed atmosphere with various process times. All the research methods have shown that along with the rising of the oxidation time, AlN layer across the aluminum oxide nitride transforms to aluminum oxide. The mixed oxidation was a faster method than the dry or wet ones.

        Keywords

        • thermal oxidation
        • AlN
        • AlO
        • AlON
        • EDS
        • SE
        Open Access

        Fabrication and characterization of nanostructured Ba-doped BiFeO3 porous ceramics

        Published Online: 27 Apr 2016
        Page range: 148 - 156

        Abstract

        Abstract

        Nanostructured barium doped bismuth ferrite, Bi₀.₈Ba₀.₂FeO₃ porous ceramics with a relatively high magnetic coercivity was fabricated via sacrificial pore former method. X-ray diffraction results showed that 20 wt.% Ba doping induces a structural phase transition from rhombohedral to distorted pseudo-cubic structure in the final porous samples. Moreover, utilizing Bi₀.₈Ba₀.₂FeO₃ as the starting powder reduces the destructive interactions between the matrix phase and pore former, leading to an increase in stability of bismuth ferrite phase in the final porous ceramics. Urea-derived Bi₀.₈Ba₀.₂FeO₃ porous ceramic exhibits density of 4.74 g/cm³ and porosity of 45 % owing the uniform distribution of interconnected pores with a mean pore size of 7.5 μm. Well defined nanostructured cell walls with a mean grain size of 90 nm were observed in the above sample, which is in a good accordance with the grain size obtained from BET measurements. Saturation magnetization decreased from 2.31 in the Bi₀.₈Ba₀.₂FeO₃ compact sample to 1.85 A m²/kg in urea-derived Bi₀.₈Ba₀.₂FeO₃ porous sample; moreover, coercivity increased from 284 to 380 kA/m.

        Keywords

        • bismuth ferrite
        • dopant
        • nanostructures
        • porous ceramics
        • magnetic properties
        Open Access

        Study of high-strength and high-conductivity Cu–Sn–Fe alloys

        Published Online: 27 Apr 2016
        Page range: 142 - 147

        Abstract

        Abstract

        Cu–Sn–Fe alloys with different compositions were developed by casting, normalizing treatment, cold roll and subsequent annealing treatment. The results showed that the tensile strength and resistivity of the Cu–xSn–xFe alloys (where x represents wt.%) improved with increasing the content of Sn and Fe. Compared with the as-cast alloys, the resistivity and tensile strength of the Cu–xSn–xFe alloys after normalizing and cold rolling treatment increased. In addition, the resistivity and mechanical properties of the alloys after the annealing treatment were improved significantly. Finally, a conclusion could be drawn that the annealed Cu–2Sn–5Fe alloy had good mechanical properties and resistivity, and the values of the tensile strength, mechanical elongation and resistivity reached 552 MPa, 32 % and 1.92 μΩ cm, respectively.

        Keywords

        • Cu–Sn–Fe alloy
        • conductive material
        • tensile strength
        • resistivity
        Open Access

        Novel GIMS technique for deposition of colored Ti/TiO₂ coatings on industrial scale

        Published Online: 27 Apr 2016
        Page range: 137 - 141

        Abstract

        Abstract

        The aim of the present paper has been to verify the effectiveness and usefulness of a novel deposition process named GIMS (Gas Injection Magnetron Sputtering) used for the flrst time for deposition of Ti/TiO₂ coatings on large area glass Substrates covered in the condition of industrial scale production. The Ti/TiO₂ coatings were deposited in an industrial System utilizing a set of linear magnetrons with the length of 2400 mm each for covering the 2000 × 3000 mm glasses. Taking into account the speciflc course of the GIMS (multipoint gas injection along the magnetron length) and the scale of the industrial facility, the optical coating uniformity was the most important goal to check. The experiments on Ti/TiO₂ coatings deposited by the use of GIMS were conducted on Substrates in the form of glass plates located at the key points along the magnetrons and intentionally non-heated during any stage of the process. Measurements of the coatings properties showed that the thickness and optical uniformity of the 150 nm thick coatings deposited by GIMS in the industrial facility (the thickness differences on the large plates with 2000 mm width did not exceed 20 nm) is fully acceptable form the point of view of expected applications e.g. for architectural glazing.

        Keywords

        • GIMS - Gas Injection Magnetron Sputtering
        • Plasma Surface Engineering
        • Impulse Plasma Deposition
        Open Access

        Synthesis and characterization of polyimide thin films obtained by thermal evaporation and solid state reaction

        Published Online: 27 Apr 2016
        Page range: 132 - 136

        Abstract

        Abstract

        In this research polyimide films were prepared by physical vapor deposition (PVD), using solid state reaction of pyromellitic dianhydride (PMDA) and p-phenylene diamine (PDA) to form poly(amic acid) (PAA) films. The resultant films were converted to polyimide by thermal treatment, usually below 300 °C. For this study, a FT-IR spectrometer has been used to measure the effect of imidization temperature on the chemical structure of the vapor-deposited thin films of aromatic PI. When temperature increased, an increase in all absorption peaks was observed. This suggests that residual PAA monomers continued to be converted into PI. The surface topology of the PI films obtained at imidization temperatures of 150, 200, 250 °C for 1 hour was further examined by using AFM atomic force microscopy. It can be clearly seen that the surface became rougher with increasing imidization temperature. The thermal stability of polyimide was also studied by using thermogravimetric analysis (TGA).

        Keywords

        • polyimide thin films
        • thermal imidization temperature
        • thermal evaporation
        • polycondensation reactions
        Open Access

        The application of magnetic self-filter to optimization of AIN film growth process during the impulse plasma deposition synthesis

        Published Online: 27 Apr 2016
        Page range: 126 - 131

        Abstract

        Abstract

        This work presents the very first results of the application of plasma magnetic filtering achieved by a coil coupled with an electrical circuit of a coaxial accelerator during the synthesis of A1N thin films by use of Impulse Plasma Deposition method (IPD). The uniqueness of this technical solution lies in the fact that the filter is not supplied, controlled and synchronized from any external device. Our solution uses the energy from the electrical circuit of plasma accelerator. The plasma state was described on the basis of OES studies. Estimation of the effects of plasma filtering on the film quality was carried out on the basis of characterization of structure morphology (SEM), phase and chemical composition (vibrational spectroscopy). Our work has shown that the use of the developed magnetic self-filter improved the structure of the AlN coatings synthesized under the condition of impulse plasma, especially by the minimization of the tendency to deposit metallic aluminum droplets and columnar growth.

        Keywords

        • IPD method
        • magnetic filter
        • nanocrystalline films
        • thin films
        Open Access

        Electronic structure and optical properties of (BeTe)n/(ZnSe)m superlattices

        Published Online: 27 Apr 2016
        Page range: 115 - 125

        Abstract

        Abstract

        The structural, electronic and optical properties of (BeTe)n/(ZnSe)m superlattices have been computationally evaluated for different configurations with m = n and m≠n using the full-potential linear muffin-tin method. The exchange and correlation potentials are treated by the local density approximation (LDA). The ground state properties of (BeTe)n/(ZnSe)m binary compounds are determined and compared with the available data. It is found that the superlattice band gaps vary depending on the layers used. The optical constants, including the dielectric function ε(ω), the refractive index n(ω) and the refractivity R(ω), are calculated for radiation energies up to 35 eV.

        Key words

        • FP-LMTO
        • electronic structure
        • optical properties
        • superlattices
        Open Access

        Some observations on the synthesis and electrolytic properties of (Ba1-xCax) (M0.9Y0.1)O3, M = Ce, Zr-based samples modified with calcium

        Published Online: 27 Apr 2016
        Page range: 101 - 114

        Abstract

        Abstract

        In this paper, the impact of partial substitution of calcium for barium in (Ba1-xCax) (M0.9Y0.1) O3, M = Ce, Zr on physicochemical properties of the powders and sintered samples was investigated. The powders, with various contents of calcium (x = 0, 0.02, 0.05, 0.1), were prepared by means of thermal decomposition of organometallic precursors containing EDTA. All of the BaCeO3-based powders synthesised at 1100 °C were monophasic with a rhombohedral structure, however, completely cubic BaZrO3-based solid solutions were obtained at 1200 °C. A study of the sinterability of BaZr0.9Y0.1O3 and BaCe0.9Y0.1O3-based pellets was performed under non-isothermal conditions within a temperature range of 25 to 1200 °C. The partial substitution of barium for calcium in the (Ba1-xCax) (M0.9Y0.1) O3, M = Ce, Zr solid solution improved the sinterability of the samples in comparison to the initial BaCe0.9Y0.1O3 or BaZr0.9Y0.1O3. The relative density of calcium-modified BaCe0.9Y0.1O3-based samples reached approximately 95 to 97 % after sintering at 1500 °C for 2 h in air. The same level of relative density was achieved after sintering calcium-modified BaZr0.9Y0.1O3 at 1600 °C for 2 h. Analysis of the electrical conductivity from both series of investigated materials showed that the highest ionic conductivity, in air and wet 5 % H2 in Ar, was attained for the compositions of x = 0.02 to 0.05 (Ba1-xCax)(M0.9Y0.1)O3, M = Zr, Ce. The oxygen reduction reaction on the interface Pt│BaM0.9Y0.1O3, M = Ce, Zr was investigated using Pt microelectrodes. Selected samples of (Ba1-xCax) (M0.9Y0.1)O3, M = Zr, Ce were tested as ceramic electrolytes in hydrogen-oxygen solid oxide fuel cells operating at temperatures of 700 to 850 °C.

        Keywords

        • ceramics
        • electrochemical measurements
        • ionic conductivity
        • IT-SOFC – intermediate temperature solid oxide fuelcell
        Open Access

        Optical properties of porous Si/PECVD SiNX:H reflector on single crystalline Si for solar cells

        Published Online: 27 Apr 2016
        Page range: 94 - 100

        Abstract

        Abstract

        The improvement of optical confinement on the back crystalline silicon solar cell is one of the factors leading to its better performance. Porous silicon (PS) layer can be used as a back reflector (BR) in solar cells. In this work, single layers of porous silicon were grown by electrodeposition on a single crystalline silicon substrate. The measurement of the total reflectivity (RT) on Si/PS surface showed a significant improvement in optical confinement compared to that measured on Si/standard Al back surface field (BSF). The internal reflectivity (RB) extracted from total reflectivity measurements achieved 86 % for the optimized single PS layer (92 nm thick layer with 60 % porosity) in the wavelength range between 950 and 1200 nm. This improvement was estimated as more than 17 % compared to that measured on the surface of Si/BSF Al contact. To improve the stability and passivation properties of PS layer BR, silicon nitride layer (SiNx) was deposited by PECVD on a PS layer. The maximum measured total reflectivity for PS/SiNx achieved approximately 56 % corresponding to an improved RB of up to 83 %. The PS formation process in combination with the PECVD SiNx, can be applied in the photovoltaic cell technology and offer a promising technique to produce high-efficiency and low-cost c-Si solar cells.

        Keywords

        • porous silicon
        • light trapping
        • SiN
        • total reflectivity
        • internal reflectivity
        Open Access

        Structural stability, electronic structure and magnetic properties of the new hypothetical half-metallic ferromagnetic full-Heusler alloy CoNiMnSi

        Published Online: 27 Apr 2016
        Page range: 85 - 93

        Abstract

        Abstract

        We investigated the structural stability as well as the mechanical, electronic and magnetic properties of the Full-Heusler alloy CoNiMnSi using the full-potential linearized augmented plane wave (FP-LAPW) method. Two generalized gradient approximations (GGA and GGA + U) were used to treat the exchange-correlation energy functional. The ground state properties of CoNiMnSi including the lattice parameter and bulk modulus were calculated. The elastic constants (Cij) and their related elastic moduli as well as the thermodynamic properties for CoNiMnSi have been calculated for the first time. The existence of half-metallic ferromagnetism (HM-FM) in this material is apparent from its band structure. Our results classify CoNiMnSi as a new HM-FM material with high spin polarization suitable for spintronic applications.

        Keywords

        • ab-initio calculations
        • Heusler alloys
        • electronic structure
        • magnetic properties
        Open Access

        Synthesis and characterization of Ag@polycarbazole nanoparticles using different oxidants and their dispersion behavior

        Published Online: 27 Apr 2016
        Page range: 79 - 84

        Abstract

        Abstract

        Ag nanoparticles (NPs) encapsulated by polycarbazole (PCz) have been synthesized using ion adsorption method. The PCz synthesis around Ag NPs has been performed by adsorbing Ag+1 and Fe+3 oxidants onto Ag NPs, which initiated surface polymerization and thus, Ag NPs@PCz nanocomposite has been synthesized. The morphology of pure NPs and composite NPs was characterized by TEM which also elucidated the effect of oxidant on the core NPs, beside their morphologies and phase contrasts of metal NPs and polymer. The polymer around the surface of core NPs was characterized by FT-IR which proved that PCz was the organic phase of the composite NPs. UV-Vis spectroscopy has been employed to study surface plasmon resonance (SPR) of pure NPs and composite of NP which demonstrated that SPR of core NPs remained preserved after coating with the polymer. Furthermore, Zeta Sizer Nano series has been applied to analyze the dispersion behavior of pure NPs and composite NPs which displayed the greatly improved dispersion behavior of the composite NPs as compared to pure Ag NPs. Therefore, our study proved helpful to analyze the suitability of metal oxidants for PCz based nanocomposite synthesis and determination of their optical and dispersion behavior.

        Keywords

        • Ag@PCz
        • nanocomposites
        • optical behavior
        • dispersion trend
        Open Access

        Structural and optoelectronic properties of glucose capped Al and Cu doped ZnO nanostructures

        Published Online: 27 Apr 2016
        Page range: 69 - 78

        Abstract

        Abstract

        Al and Cu doped ZnO nanoparticles are considered as appropriate for modulation of structural and optoelectronic properties. Al atoms are found to substitute the host Zn whereas Cu dopants mainly segregate in grain boundaries and thereby determine the optical properties. The undoped as well as Al and Cu doped ZnO exhibit spherical well defined particles. The spherical nanoparticles change to rod type structures on co-doping. The average particle size decreases on doping what consequently results in an increment in band gap. Blue shift in UV absorption is governed by the functional group of glucose; further blue shift occurring on metal doping may be attributed to Burstein-Moss effect. PL spectra of doped and undoped ZnO show a dominant near band gap UV emission along with visible emission owing to the defects. The PL peak intensity increases on doping with Cu and Al. The linear I-V characteristics indicate the ohmic behavior of ZnO nanostructures.

        Keywords

        • d-value
        • doping
        • defects
        • band gap
        • Burstein-Moss effect
        • conductivity
        Open Access

        Synthesis and characterization of nanocrystalline barium strontium titanate powder by a modified sol-gel processing

        Published Online: 27 Apr 2016
        Page range: 63 - 68

        Abstract

        Abstract

        In this research work, nanocrystalline BST (Ba0.6Sr0.4TiO3) powders were synthesized through a modified sol-gel process, using barium acetate, strontium acetate and titanium isopropoxide as the precursors. In this process, stoichiometric proportions of barium acetate and strontium acetate were dissolved in acetic acid and titanium (IV) isopropoxide was added to form BST gel. The as-formed gel was dried at 200 °C and then calcined in the temperature range of 600 to 850 °C for crystallization. The samples were characterized by infrared spectroscopy method (FT-IR), X-ray diffraction technique (XRD) and field emission scanning electron microscope (FESEM) and energy dispersive X-ray spectroscopy. EDS analysis of these samples confirmed the formation of the final phase with the special stoichiometry. The formation of a cubic perovskite crystalline phase with nanoscale dimension was detected using the mentioned techniques. The results showed that the obtained crystallite sizes were 33 and 37 nm for BST powder calcined at 750 and 850 °C, respectively.

        Keywords

          Open Access

          Effects of thermal treatment and fluoride ion doping on surface and catalytic properties of NiO–ZrO2 catalysts

          Published Online: 27 Apr 2016
          Page range: 53 - 62

          Abstract

          Abstract

          ZrO2 and a series of NiO/ZrO2 hydrogels (5 to 25 wt.% NiO) were co-precipitated with the aid of NaOH–Na2C2O4 solution. Two fluorinated hydrogels were also prepared by wet impregnation method. The samples were calcined in the temperature range of 550 to 850 °C. The surface properties of the samples were determined using DTA, XRD and nitrogen adsorption at −196 °C. The conversion of isopropanol was tested using microcatalytic pulse technique. DTA measurements showed that the addition of nickel oxide to zirconia influences the phase transition of ZrO2. XRD revealed that the tetragonal phase was formed at T ⩽ 650 °C, while a biphasic mixture was obtained at T ⩾ 750 °C. No spinel structure was detected by both DTA and XRD techniques and only traces of cubic NiO were detected for the samples containing ⩾ 15 wt.% nickel oxide and calcined at T ⩾ 750 °C. Significant changes in texture, surface acidity and catalytic activity were found as a result of the effects of thermal treatment and chemical composition. Incorporation of fluoride ions greatly increased the surface acidity and consequently enhanced the dehydration activity. It has been found that dehydration activity is related to the amount of surface acidity while the dehydrogenation of this alcohol is sensitive to NiO content.

          Keywords

          • NiO supported zirconia
          • acidity of solid catalyst
          • isopropanol conversion
          Open Access

          Electronic and structural properties of rare earth pnictides

          Published Online: 27 Apr 2016
          Page range: 45 - 52

          Abstract

          Abstract

          In the present paper structural and electronic properties of rare earth pnictides have been presented. The present calculation has been performed using self-consistent tight binding linear muffin tin orbital (TB-LMTO) method within the local density approximation (LDA). The studied compounds undergo a structural phase transition from NaCl-type structure to CsCl-type structure. The electronic band structure and density of states of the pnictides have been reported. The equilibrium lattice parameter a (Å), bulk modulus B (GPa), number of f-states at the Fermi level Nf (states/Ry cell) and volume collapse of AmBi and CmBi have also been reported. The calculated equilibrium structural parameters are in good agreement with the available experimental results.

          Keywords

          • electronic band structure
          • electronic properties
          • phase transition
          • density of states
          Open Access

          Electronic and optical properties of Mn–S co-doped anatase TiO2 from first-principles calculations

          Published Online: 27 Apr 2016
          Page range: 38 - 44

          Abstract

          Abstract

          The electronic and optical properties of Mn–S co-doped anatase TiO2 were calculated using the plane-wave-based ultrasoft pseudopotential density functional method within its generalized gradient approximation (GGA). The calculated results show that the band gap of Mn–S co-doped TiO2 is larger than that of the pure TiO2, and two impurity bands appear in the forbidden band, one of which above the valence band plays a vital role for the improvement of the visible light catalytic activity. The Mn–S co-doped anatase TiO2 could be a potential candidate for a photo catalyst because of its enhanced absorption ability of visible light.

          Keywords

          • Mn–S co-doped TiO
          • electronic structure
          • optical properties
          Open Access

          Implant materials modified by colloids

          Published Online: 27 Apr 2016
          Page range: 33 - 37

          Abstract

          Abstract

          Recent advances in general medicine led to the development of biomaterials. Implant material should be characterized by a high biocompatibility to the tissue and appropriate functionality, i.e. to have high mechanical and electrical strength and be stable in an electrolyte environment – these are the most important properties of bioceramic materials. Considerations of biomaterials design embrace also electrical properties occurring on the implant-body fluid interface and consequently the electrokinetic potential, which can be altered by modifying the surface of the implant. In this work, the surface of the implants was modified to decrease the risk of infection by using metal colloids. Nanocolloids were obtained using different chemical and electrical methods. It was found that the colloids obtained by physical and electrical methods are more stable than colloids obtained by chemical route. In this work the surface of modified corundum implants was investigated. The implant modified by nanosilver, obtained by electrical method was selected. The in vivo research on animals was carried out. Clinical observations showed that the implants with modified surface could be applied to wounds caused by atherosclerotic skeleton, for curing the chronic and bacterial inflammations as well as for skeletal reconstruction surgery.

          Keywords

          • implant
          • electrokinetic potential
          • nanosilver
          • bioceramic
          Open Access

          Experimental and theoretical approaches on thermal and structural properties of Zn doped BSCCO glass ceramics

          Published Online: 27 Apr 2016
          Page range: 25 - 32

          Abstract

          Abstract

          Thermal properties of Cu–Zn partially substituted Bi1.8Sr2Ca2Cu3.2-xZnxO10+δ (x = 0, 0.1 and 0.5) glass-ceramic systems have been investigated with the help of a differential thermal analyzer (DTA) by using Johnson-Mehl-Avrami-Kolmogorov (JMAK) approximation. Non-isothermal crystallization kinetics of the samples has been tested. The calculated values of activation energy of crystallization (E) and Avrami parameter (n) ranged between 306.1 and 338.3 kJ.mol-1 and 1.29 and 3.59, respectively. Crystallization kinetics was compared following the partial substitution, before and after Zn doping of the sample. In addition, by using a scanning electron microscope (SEM) and X-ray powder diffractometer (XRD), structural properties of Zn doped BSCCO glass-ceramic samples were determined. Surface morphology of the samples was studied by SEM measurements. Lattice parameters and volume of the samples were calculated from the XRD measurements.

          Keywords

          • BSCCO
          • Zn-doped glass-ceramics
          • thermal properties
          Open Access

          Complex permittivity, permeability and microwave absorbing properties of Co–Ti substituted strontium hexaferrite

          Published Online: 27 Apr 2016
          Page range: 19 - 24

          Abstract

          Abstract

          M-type strontium ferrite with compositions SrFe(12-2x)CoxTixO19 (x = 0.0, 0.3, 0.5, 0.7, 1.0), were prepared by two route ceramic method. The effects of Co–Ti substitution on their microstructure, electromagnetic properties, and microwave absorptive behavior were analyzed. The complex permittivity (∊′-j∊″) and complex permeability (μ′-jμ″) have been measured from 8.2 to 12.4 GHz using a network analyzer. Scanning electron microscope was used to analyze the grain size distribution and porosity of the ferrite. X-ray diffraction confirmed the M-type structure of the doped strontium ferrite. Vibrating sample magnetometer was used to study hysteresis loop of the ferrite. This study suggests that the control of grain size, decrease in coercivity and enhanced values of dielectric constant and loss are effective means to improve microwave absorption. The dielectric constant and loss were enhanced in comparison to the permeability constant and loss over the entire frequency range.

          Keywords

          • dielectric properties
          • hexaferrites
          • magnetic properties
          Open Access

          Influence of Ta2O5 doping on mechanical and biological properties of silicate glass-ceramics

          Published Online: 27 Apr 2016
          Page range: 13 - 18

          Abstract

          Abstract

          The mechanical properties of silicate glass-ceramics were evaluated based on the compressive strength tests. It was found that Ta2O5 addition improved densification, refinement of the microstructure and toughening of the bodies. The maximum compressive strength of the bodies with 1 mol% Ta2O5 was increased 3-fold (245.92 ±0.3 MPa) in comparison to undoped glass-ceramics which was measured to be 89.04 ±0.3 MPa, while for 3 mol% it became 4-fold (387.12 ±0.4 MPa) greater. The addition of Ta2O5 stabilized the system by controlling the biodegradation of the glass-ceramics. It effectively depressed the apatite formation as by addition of 3 mol% Ta2O5 no apatite layer was observed. It may be concluded from this study that mechanical and physical properties can be improved by the addition of Ta2O5, but at a cost of bioactivity. Still the optimized composition having Ta2O5 ⩽ 1 mol% may provide appropriate strength of biomaterials for high load bearing applications.

          Keywords

          • compressive strength
          • bioactivity
          • TaO
          • glass-ceramics
          Open Access

          FMR study of samples obtained by nitriding and nitrides reduction of nanocrystalline iron

          Published Online: 27 Apr 2016
          Page range: 6 - 12

          Abstract

          Abstract

          Samples obtained by nitriding of promoted nanocrystalline iron and the nitrides reduction at various nitriding potential in terms of thermodynamic parameters were investigated by electron paramagnetic resonance/ferromagnetic resonance (EPR/FMR) method at room temperature. Experimental FMR spectra were fitted by the Dysonian-type resonance lines arising from the presence of different Fe–N phases. The obtained FMR parameters allowed us to identify the component phases and to determine their magnetic properties. In general, the proposed simple method of decomposition of the FMR spectra produced results on the phase content in investigated samples that were consistent with XRD measurements and additionally, magnetic characteristics of the studied nanomagnets.

          Keywords

          • FMR
          • nitriding
          • Fe–N phases
          • magnetic properties
          Open Access

          Raman spectroscopy and microwave dielectric properties of Sn substituted SrLa4Ti5O17 ceramics

          Published Online: 27 Apr 2016
          Page range: 1 - 5

          Abstract

          Abstract

          SrLa4Ti5−xSnxO17 (0 ≤ x ≤ 2) ceramics were fabricated through solid state ceramic route and their microwave dielectric properties were investigated in an attempt to tune their temperature coefficient of resonant frequency (τf) to zero. The compositions were sintered to single phase SrLa4Ti5O17 and SrLa4Ti4.5Sn0.5O17 ceramics at x = 0 and x = 0.5, and SrLa4Ti4−xSnxO17 along with a small amount of La2Ti2O7 at x = 1. The major phase observed at x = 2 was La2Ti2O7 but along with SrLa4Ti4SnO17 and SrLa4Ti4O15 as the secondary phases. τf decreased from 117 to 23.0 ppm/°C but at the cost of dielectric constant (εr) and quality factor multiplied by resonant frequency (Qufo) which decreased from 65 to 33.6 and 11150 to 4191 GHz, respectively. The optimum microwave dielectric properties, i.e. τf = 38.6 ppm/°C, εr = 45.5 and Qufo = 7919 GHz, correspond to the SrLa4Ti5−xSnxO17 composition with x = 1.

          Keywords

          • ceramics
          • microwave properties
          • Raman spectroscopy
          • SEM

          Retraction

          Open Access

          Retraction

          Published Online: 27 Apr 2016
          Page range: 226 - 226

          Abstract

          30 Articles

          Research Article

          Open Access

          High accuracy computational methods for behavioral modeling of thick-film resistors at cryogenic temperatures

          Published Online: 27 Apr 2016
          Page range: 212 - 225

          Abstract

          Abstract

          The aim of this work was to elaborate two-dimensional behavioral modeling method of thick-film resistors working in low-temperature conditions. The investigated resistors (made from 5 various resistive inks: 10 resistor coupons, each with 36 resistors with various dimensions), were measured automatically in a cryostat system. The low temperature was achieved in a nitrogen-helium continuous-flow cryostat. For nitrogen used as a freezing liquid the minimal temperature possible to achieve was equal to −195.85 °C (77.3 K). Mathematical model in the form of a multiplication of two polynomials was elaborated based on the above mentioned measurements. The first polynomial approximated temperature behavior of the normalized resistance, while the second one described the dependence of resistance on planar resistors dimensions. Special computational procedures for multidimensional approximation purpose were elaborated. It was shown that proper approximation polynomials and sufficiently exact methods of calculations ensure acceptable modeling errors.

          Keywords

          • thick-film resistors
          • cryogenic temperature
          • behavioral modeling
          Open Access

          Chemically synthesized PbS Nano particulate thin films for a rapid NO2 gas sensor

          Published Online: 27 Apr 2016
          Page range: 204 - 211

          Abstract

          Abstract

          Rapid NO2 gas sensor has been developed based on PbS nanoparticulate thin films synthesized by Successive Ionic Layer Adsorption and Reaction (SILAR) method at different precursor concentrations. The structural and morphological properties were investigated by means of X-ray diffraction and field emission scanning electron microscope. NO2 gas sensing properties of PbS thin films deposited at different concentrations were tested. PbS film with 0.25 M precursor concentration showed the highest sensitivity. In order to optimize the operating temperature, the sensitivity of the sensor to 50 ppm NO2 gas was measured at different operating temperatures, from 50 to 200 °C. The gas sensitivity increased with an increase in operating temperature and achieved the maximum value at 150 °C, followed by a decrease in sensitivity with further increase of the operating temperature. The sensitivity was about 35 % for 50 ppm NO2 at 150 °C with rapid response time of 6 s. T90 and T10 recovery time was 97 s at this gas concentration.

          Keywords

          • sensor
          Open Access

          Optimized geometry, vibration (IR and Raman) spectra and nonlinear optical activity of p-nitroanilinium perchlorate molecule: A theoretical study

          Published Online: 27 Apr 2016
          Page range: 192 - 203

          Abstract

          Abstract

          The molecular modeling of p-nitroanilinium perchlorate molecule was carried out by using B3LYP and HSEH1PBE levels of density functional theory (DFT). The IR and Raman spectra were simulated and the assignments of vibrational modes were performed on the basis of relative contribution of various internal co-ordinates. NBO analysis was performed to demonstrate charge transfer, conjugative interactions and the formation of intramolecular hydrogen bonding interactions within PNAPC. Obtained large dipole moment values showed that PNAPC is a highly polarizable complex, and the charge transfer occurs within PNAPC. Hydrogen bonding and charge transfer interactions were also displayed by small HOMO-LUMO gap and molecular electrostatic potential (MEP) surface. The strong evidences that the material can be used as an efficient nonlinear optical (NLO) material of PNAPC were demonstrated by considerable polarizability and hyperpolarizability values obtained at DFT levels.

          Keywords

            Open Access

            Structural and electrical properties of chromium substituted nickel ferrite by conventional ceramic method

            Published Online: 27 Apr 2016
            Page range: 185 - 191

            Abstract

            Abstract

            Polycrystalline Cr substituted Ni ferrites [NiCrxFe2−xO4 (0.0 ≤ x ≤ 1.0)] were synthesized by conventional ceramic method and sintered at 1350 °C in air. X-ray diffraction (XRD) patterns showing sharp peaks confirmed the formation of single phase cubic spinel structure. The lattice parameters of the samples were determined from the XRD data using Nelson-Riley extrapolation technique. They were found to decrease with increasing Cr concentration obeying Vegard’s law. X-ray density, bulk density and porosity were also calculated from the XRD data. The variation of DC resistivity with temperature was measured by two-probe method. The DC resistivity was found to decrease with increasing temperature indicating the semiconducting nature of the samples. Activation energy was calculated from the Arrhenius plot. AC resistivity, dielectric constant and loss tangent were measured in the frequency range of 1 kHz to 120 MHz at room temperature.

            Key words

              Open Access

              Synthesis and characterization of Cu-MFI catalyst for the direct medium temperature range NO decomposition

              Published Online: 27 Apr 2016
              Page range: 177 - 184

              Abstract

              Abstract

              In this study the physico-chemical and catalytic properties of copper bearing MFI zeolites (Cu-MFI) with different Si/Al and Si/Cu ratios were investigated. Two different methods for incorporation of metal ions into the zeolite framework were used: the ion exchange from the solution of copper acetate and the direct hydrothermal synthesis. Direct synthesis of a zeolite in the presence of copper-phosphate complexes was expected to generate more active copper species necessary for the desired reaction than the conventional ion exchange method. Direct decomposition of NO was used as a model reaction, because this reaction still offers a very attractive approach to NOX removal. The catalytic properties of zeolite samples were studied using techniques, such as XRD, SEM, EPR and nitrogen adsorption/desorption measurements at 77 K. Results of the kinetic investigation revealed that both methods are applicable for the preparation of the catalysts with active sites capable of catalyzing the NO decomposition. It was found out that Cu-MFI zeolites obtained through direct synthesis are promising catalysts for NO decomposition, especially at lower reaction temperatures. The efficiency of the catalysts prepared by both methods is compared and discussed.

              Keywords

              • Cu-MFI zeolite
              • catalytic properties
              • direct hydrothermal synthesis
              • NO decomposition
              • medium reaction temperature range
              • redox properties
              Open Access

              VO2(B) conversion to VO2(A) and VO2(M) and their oxidation resistance and optical switching properties

              Published Online: 27 Apr 2016
              Page range: 169 - 176

              Abstract

              Abstract

              Vanadium dioxide VO2 has been paid in recent years increasing attention because of its various applications, however, its oxidation resistance properties in air atmosphere have rarely been reported. Herein, VO2(B) nanobelts were transformed into VO2(A) and VO2(M) nanobelts by hydrothermal route and calcination treatment, respectively. Then, we comparatively studied the oxidation resistance properties of VO2(B), VO2(A) and VO2(M) nanobelts in air atmosphere by thermo-gravimetric analysis and differential thermal analysis (TGA/DTA). It was found that the nanobelts had good thermal stability and oxidation resistance below 341 °C, 408 °C and 465 °C in air, respectively, indicating that they were stable in air at room temperature. The fierce oxidation of the nanobelts occurred at 426, 507 and 645 °C, respectively. The results showed that the VO2(M) nanobelts had the best thermal stability and oxidation resistance among the others. Furthermore, the phase transition temperatures and optical switching properties of VO2(A) and VO2(M) were studied by differential scanning calorimetry (DSC) and variable temperature infrared spectra. It was found that the VO2(A) and VO2(M) nanobelts had outstanding thermochromic character and optical switching properties.

              Keywords

                Open Access

                Synthesis and electrical characterization of Ca2Nd4Ti6O20 ceramics

                Published Online: 27 Apr 2016
                Page range: 164 - 168

                Abstract

                Abstract

                Ca2Nd4Ti6O20, a layered perov skite structured material was synthesized via a chemical (citrate sol-gel) route for the first time using nitrates and alkoxide precursors. Phase analysis of a sample sintered at 1625 °C revealed the formation of an orthorhombic (Pbn21) symmetry. The microstructure of the sample after sintering comprised rod-shaped grains of a size of 1.5 to 6.5µm. The room temperature dielectric constant of the sintered sample was 38 at 100 kHz. The remnant polarization (Pr) and the coercive field (Ec) were about 400 μC/cm2 and 8.4 kV/cm, respectively. Impedance spectroscopy revealed that the capacitance (13.7 pF) and activation energy (1.39 eV) of the grain boundary was greater than the capacitance (5.7 pF) and activation energy (1.13 eV) of the grain.

                Keywords

                • sol-gel
                • CaNdTiO
                • electrical properties
                Open Access

                Preliminary comparison of three processes of AlN oxidation: dry, wet and mixed ones

                Published Online: 27 Apr 2016
                Page range: 157 - 163

                Abstract

                Abstract

                Three methods of AlN layers oxidation: dry, wet and mixed (wet with oxygen) were compared. Some physical parameters of oxidized thin films of aluminum nitride (AlN) layers grown on silicon Si(1 1 1) were investigated by means Energy-Dispersive X-ray Spectroscopy (EDS) and Spectroscopic Ellipsometry (SE). Three series of the thermal oxidations processes were carried out at 1012 °C in pure nitrogen as carrying gas and various gas ambients: (a) dry oxidation with oxygen, (b) wet oxidation with water steam and (c) mixed atmosphere with various process times. All the research methods have shown that along with the rising of the oxidation time, AlN layer across the aluminum oxide nitride transforms to aluminum oxide. The mixed oxidation was a faster method than the dry or wet ones.

                Keywords

                • thermal oxidation
                • AlN
                • AlO
                • AlON
                • EDS
                • SE
                Open Access

                Fabrication and characterization of nanostructured Ba-doped BiFeO3 porous ceramics

                Published Online: 27 Apr 2016
                Page range: 148 - 156

                Abstract

                Abstract

                Nanostructured barium doped bismuth ferrite, Bi₀.₈Ba₀.₂FeO₃ porous ceramics with a relatively high magnetic coercivity was fabricated via sacrificial pore former method. X-ray diffraction results showed that 20 wt.% Ba doping induces a structural phase transition from rhombohedral to distorted pseudo-cubic structure in the final porous samples. Moreover, utilizing Bi₀.₈Ba₀.₂FeO₃ as the starting powder reduces the destructive interactions between the matrix phase and pore former, leading to an increase in stability of bismuth ferrite phase in the final porous ceramics. Urea-derived Bi₀.₈Ba₀.₂FeO₃ porous ceramic exhibits density of 4.74 g/cm³ and porosity of 45 % owing the uniform distribution of interconnected pores with a mean pore size of 7.5 μm. Well defined nanostructured cell walls with a mean grain size of 90 nm were observed in the above sample, which is in a good accordance with the grain size obtained from BET measurements. Saturation magnetization decreased from 2.31 in the Bi₀.₈Ba₀.₂FeO₃ compact sample to 1.85 A m²/kg in urea-derived Bi₀.₈Ba₀.₂FeO₃ porous sample; moreover, coercivity increased from 284 to 380 kA/m.

                Keywords

                • bismuth ferrite
                • dopant
                • nanostructures
                • porous ceramics
                • magnetic properties
                Open Access

                Study of high-strength and high-conductivity Cu–Sn–Fe alloys

                Published Online: 27 Apr 2016
                Page range: 142 - 147

                Abstract

                Abstract

                Cu–Sn–Fe alloys with different compositions were developed by casting, normalizing treatment, cold roll and subsequent annealing treatment. The results showed that the tensile strength and resistivity of the Cu–xSn–xFe alloys (where x represents wt.%) improved with increasing the content of Sn and Fe. Compared with the as-cast alloys, the resistivity and tensile strength of the Cu–xSn–xFe alloys after normalizing and cold rolling treatment increased. In addition, the resistivity and mechanical properties of the alloys after the annealing treatment were improved significantly. Finally, a conclusion could be drawn that the annealed Cu–2Sn–5Fe alloy had good mechanical properties and resistivity, and the values of the tensile strength, mechanical elongation and resistivity reached 552 MPa, 32 % and 1.92 μΩ cm, respectively.

                Keywords

                • Cu–Sn–Fe alloy
                • conductive material
                • tensile strength
                • resistivity
                Open Access

                Novel GIMS technique for deposition of colored Ti/TiO₂ coatings on industrial scale

                Published Online: 27 Apr 2016
                Page range: 137 - 141

                Abstract

                Abstract

                The aim of the present paper has been to verify the effectiveness and usefulness of a novel deposition process named GIMS (Gas Injection Magnetron Sputtering) used for the flrst time for deposition of Ti/TiO₂ coatings on large area glass Substrates covered in the condition of industrial scale production. The Ti/TiO₂ coatings were deposited in an industrial System utilizing a set of linear magnetrons with the length of 2400 mm each for covering the 2000 × 3000 mm glasses. Taking into account the speciflc course of the GIMS (multipoint gas injection along the magnetron length) and the scale of the industrial facility, the optical coating uniformity was the most important goal to check. The experiments on Ti/TiO₂ coatings deposited by the use of GIMS were conducted on Substrates in the form of glass plates located at the key points along the magnetrons and intentionally non-heated during any stage of the process. Measurements of the coatings properties showed that the thickness and optical uniformity of the 150 nm thick coatings deposited by GIMS in the industrial facility (the thickness differences on the large plates with 2000 mm width did not exceed 20 nm) is fully acceptable form the point of view of expected applications e.g. for architectural glazing.

                Keywords

                • GIMS - Gas Injection Magnetron Sputtering
                • Plasma Surface Engineering
                • Impulse Plasma Deposition
                Open Access

                Synthesis and characterization of polyimide thin films obtained by thermal evaporation and solid state reaction

                Published Online: 27 Apr 2016
                Page range: 132 - 136

                Abstract

                Abstract

                In this research polyimide films were prepared by physical vapor deposition (PVD), using solid state reaction of pyromellitic dianhydride (PMDA) and p-phenylene diamine (PDA) to form poly(amic acid) (PAA) films. The resultant films were converted to polyimide by thermal treatment, usually below 300 °C. For this study, a FT-IR spectrometer has been used to measure the effect of imidization temperature on the chemical structure of the vapor-deposited thin films of aromatic PI. When temperature increased, an increase in all absorption peaks was observed. This suggests that residual PAA monomers continued to be converted into PI. The surface topology of the PI films obtained at imidization temperatures of 150, 200, 250 °C for 1 hour was further examined by using AFM atomic force microscopy. It can be clearly seen that the surface became rougher with increasing imidization temperature. The thermal stability of polyimide was also studied by using thermogravimetric analysis (TGA).

                Keywords

                • polyimide thin films
                • thermal imidization temperature
                • thermal evaporation
                • polycondensation reactions
                Open Access

                The application of magnetic self-filter to optimization of AIN film growth process during the impulse plasma deposition synthesis

                Published Online: 27 Apr 2016
                Page range: 126 - 131

                Abstract

                Abstract

                This work presents the very first results of the application of plasma magnetic filtering achieved by a coil coupled with an electrical circuit of a coaxial accelerator during the synthesis of A1N thin films by use of Impulse Plasma Deposition method (IPD). The uniqueness of this technical solution lies in the fact that the filter is not supplied, controlled and synchronized from any external device. Our solution uses the energy from the electrical circuit of plasma accelerator. The plasma state was described on the basis of OES studies. Estimation of the effects of plasma filtering on the film quality was carried out on the basis of characterization of structure morphology (SEM), phase and chemical composition (vibrational spectroscopy). Our work has shown that the use of the developed magnetic self-filter improved the structure of the AlN coatings synthesized under the condition of impulse plasma, especially by the minimization of the tendency to deposit metallic aluminum droplets and columnar growth.

                Keywords

                • IPD method
                • magnetic filter
                • nanocrystalline films
                • thin films
                Open Access

                Electronic structure and optical properties of (BeTe)n/(ZnSe)m superlattices

                Published Online: 27 Apr 2016
                Page range: 115 - 125

                Abstract

                Abstract

                The structural, electronic and optical properties of (BeTe)n/(ZnSe)m superlattices have been computationally evaluated for different configurations with m = n and m≠n using the full-potential linear muffin-tin method. The exchange and correlation potentials are treated by the local density approximation (LDA). The ground state properties of (BeTe)n/(ZnSe)m binary compounds are determined and compared with the available data. It is found that the superlattice band gaps vary depending on the layers used. The optical constants, including the dielectric function ε(ω), the refractive index n(ω) and the refractivity R(ω), are calculated for radiation energies up to 35 eV.

                Key words

                • FP-LMTO
                • electronic structure
                • optical properties
                • superlattices
                Open Access

                Some observations on the synthesis and electrolytic properties of (Ba1-xCax) (M0.9Y0.1)O3, M = Ce, Zr-based samples modified with calcium

                Published Online: 27 Apr 2016
                Page range: 101 - 114

                Abstract

                Abstract

                In this paper, the impact of partial substitution of calcium for barium in (Ba1-xCax) (M0.9Y0.1) O3, M = Ce, Zr on physicochemical properties of the powders and sintered samples was investigated. The powders, with various contents of calcium (x = 0, 0.02, 0.05, 0.1), were prepared by means of thermal decomposition of organometallic precursors containing EDTA. All of the BaCeO3-based powders synthesised at 1100 °C were monophasic with a rhombohedral structure, however, completely cubic BaZrO3-based solid solutions were obtained at 1200 °C. A study of the sinterability of BaZr0.9Y0.1O3 and BaCe0.9Y0.1O3-based pellets was performed under non-isothermal conditions within a temperature range of 25 to 1200 °C. The partial substitution of barium for calcium in the (Ba1-xCax) (M0.9Y0.1) O3, M = Ce, Zr solid solution improved the sinterability of the samples in comparison to the initial BaCe0.9Y0.1O3 or BaZr0.9Y0.1O3. The relative density of calcium-modified BaCe0.9Y0.1O3-based samples reached approximately 95 to 97 % after sintering at 1500 °C for 2 h in air. The same level of relative density was achieved after sintering calcium-modified BaZr0.9Y0.1O3 at 1600 °C for 2 h. Analysis of the electrical conductivity from both series of investigated materials showed that the highest ionic conductivity, in air and wet 5 % H2 in Ar, was attained for the compositions of x = 0.02 to 0.05 (Ba1-xCax)(M0.9Y0.1)O3, M = Zr, Ce. The oxygen reduction reaction on the interface Pt│BaM0.9Y0.1O3, M = Ce, Zr was investigated using Pt microelectrodes. Selected samples of (Ba1-xCax) (M0.9Y0.1)O3, M = Zr, Ce were tested as ceramic electrolytes in hydrogen-oxygen solid oxide fuel cells operating at temperatures of 700 to 850 °C.

                Keywords

                • ceramics
                • electrochemical measurements
                • ionic conductivity
                • IT-SOFC – intermediate temperature solid oxide fuelcell
                Open Access

                Optical properties of porous Si/PECVD SiNX:H reflector on single crystalline Si for solar cells

                Published Online: 27 Apr 2016
                Page range: 94 - 100

                Abstract

                Abstract

                The improvement of optical confinement on the back crystalline silicon solar cell is one of the factors leading to its better performance. Porous silicon (PS) layer can be used as a back reflector (BR) in solar cells. In this work, single layers of porous silicon were grown by electrodeposition on a single crystalline silicon substrate. The measurement of the total reflectivity (RT) on Si/PS surface showed a significant improvement in optical confinement compared to that measured on Si/standard Al back surface field (BSF). The internal reflectivity (RB) extracted from total reflectivity measurements achieved 86 % for the optimized single PS layer (92 nm thick layer with 60 % porosity) in the wavelength range between 950 and 1200 nm. This improvement was estimated as more than 17 % compared to that measured on the surface of Si/BSF Al contact. To improve the stability and passivation properties of PS layer BR, silicon nitride layer (SiNx) was deposited by PECVD on a PS layer. The maximum measured total reflectivity for PS/SiNx achieved approximately 56 % corresponding to an improved RB of up to 83 %. The PS formation process in combination with the PECVD SiNx, can be applied in the photovoltaic cell technology and offer a promising technique to produce high-efficiency and low-cost c-Si solar cells.

                Keywords

                • porous silicon
                • light trapping
                • SiN
                • total reflectivity
                • internal reflectivity
                Open Access

                Structural stability, electronic structure and magnetic properties of the new hypothetical half-metallic ferromagnetic full-Heusler alloy CoNiMnSi

                Published Online: 27 Apr 2016
                Page range: 85 - 93

                Abstract

                Abstract

                We investigated the structural stability as well as the mechanical, electronic and magnetic properties of the Full-Heusler alloy CoNiMnSi using the full-potential linearized augmented plane wave (FP-LAPW) method. Two generalized gradient approximations (GGA and GGA + U) were used to treat the exchange-correlation energy functional. The ground state properties of CoNiMnSi including the lattice parameter and bulk modulus were calculated. The elastic constants (Cij) and their related elastic moduli as well as the thermodynamic properties for CoNiMnSi have been calculated for the first time. The existence of half-metallic ferromagnetism (HM-FM) in this material is apparent from its band structure. Our results classify CoNiMnSi as a new HM-FM material with high spin polarization suitable for spintronic applications.

                Keywords

                • ab-initio calculations
                • Heusler alloys
                • electronic structure
                • magnetic properties
                Open Access

                Synthesis and characterization of Ag@polycarbazole nanoparticles using different oxidants and their dispersion behavior

                Published Online: 27 Apr 2016
                Page range: 79 - 84

                Abstract

                Abstract

                Ag nanoparticles (NPs) encapsulated by polycarbazole (PCz) have been synthesized using ion adsorption method. The PCz synthesis around Ag NPs has been performed by adsorbing Ag+1 and Fe+3 oxidants onto Ag NPs, which initiated surface polymerization and thus, Ag NPs@PCz nanocomposite has been synthesized. The morphology of pure NPs and composite NPs was characterized by TEM which also elucidated the effect of oxidant on the core NPs, beside their morphologies and phase contrasts of metal NPs and polymer. The polymer around the surface of core NPs was characterized by FT-IR which proved that PCz was the organic phase of the composite NPs. UV-Vis spectroscopy has been employed to study surface plasmon resonance (SPR) of pure NPs and composite of NP which demonstrated that SPR of core NPs remained preserved after coating with the polymer. Furthermore, Zeta Sizer Nano series has been applied to analyze the dispersion behavior of pure NPs and composite NPs which displayed the greatly improved dispersion behavior of the composite NPs as compared to pure Ag NPs. Therefore, our study proved helpful to analyze the suitability of metal oxidants for PCz based nanocomposite synthesis and determination of their optical and dispersion behavior.

                Keywords

                • Ag@PCz
                • nanocomposites
                • optical behavior
                • dispersion trend
                Open Access

                Structural and optoelectronic properties of glucose capped Al and Cu doped ZnO nanostructures

                Published Online: 27 Apr 2016
                Page range: 69 - 78

                Abstract

                Abstract

                Al and Cu doped ZnO nanoparticles are considered as appropriate for modulation of structural and optoelectronic properties. Al atoms are found to substitute the host Zn whereas Cu dopants mainly segregate in grain boundaries and thereby determine the optical properties. The undoped as well as Al and Cu doped ZnO exhibit spherical well defined particles. The spherical nanoparticles change to rod type structures on co-doping. The average particle size decreases on doping what consequently results in an increment in band gap. Blue shift in UV absorption is governed by the functional group of glucose; further blue shift occurring on metal doping may be attributed to Burstein-Moss effect. PL spectra of doped and undoped ZnO show a dominant near band gap UV emission along with visible emission owing to the defects. The PL peak intensity increases on doping with Cu and Al. The linear I-V characteristics indicate the ohmic behavior of ZnO nanostructures.

                Keywords

                • d-value
                • doping
                • defects
                • band gap
                • Burstein-Moss effect
                • conductivity
                Open Access

                Synthesis and characterization of nanocrystalline barium strontium titanate powder by a modified sol-gel processing

                Published Online: 27 Apr 2016
                Page range: 63 - 68

                Abstract

                Abstract

                In this research work, nanocrystalline BST (Ba0.6Sr0.4TiO3) powders were synthesized through a modified sol-gel process, using barium acetate, strontium acetate and titanium isopropoxide as the precursors. In this process, stoichiometric proportions of barium acetate and strontium acetate were dissolved in acetic acid and titanium (IV) isopropoxide was added to form BST gel. The as-formed gel was dried at 200 °C and then calcined in the temperature range of 600 to 850 °C for crystallization. The samples were characterized by infrared spectroscopy method (FT-IR), X-ray diffraction technique (XRD) and field emission scanning electron microscope (FESEM) and energy dispersive X-ray spectroscopy. EDS analysis of these samples confirmed the formation of the final phase with the special stoichiometry. The formation of a cubic perovskite crystalline phase with nanoscale dimension was detected using the mentioned techniques. The results showed that the obtained crystallite sizes were 33 and 37 nm for BST powder calcined at 750 and 850 °C, respectively.

                Keywords

                  Open Access

                  Effects of thermal treatment and fluoride ion doping on surface and catalytic properties of NiO–ZrO2 catalysts

                  Published Online: 27 Apr 2016
                  Page range: 53 - 62

                  Abstract

                  Abstract

                  ZrO2 and a series of NiO/ZrO2 hydrogels (5 to 25 wt.% NiO) were co-precipitated with the aid of NaOH–Na2C2O4 solution. Two fluorinated hydrogels were also prepared by wet impregnation method. The samples were calcined in the temperature range of 550 to 850 °C. The surface properties of the samples were determined using DTA, XRD and nitrogen adsorption at −196 °C. The conversion of isopropanol was tested using microcatalytic pulse technique. DTA measurements showed that the addition of nickel oxide to zirconia influences the phase transition of ZrO2. XRD revealed that the tetragonal phase was formed at T ⩽ 650 °C, while a biphasic mixture was obtained at T ⩾ 750 °C. No spinel structure was detected by both DTA and XRD techniques and only traces of cubic NiO were detected for the samples containing ⩾ 15 wt.% nickel oxide and calcined at T ⩾ 750 °C. Significant changes in texture, surface acidity and catalytic activity were found as a result of the effects of thermal treatment and chemical composition. Incorporation of fluoride ions greatly increased the surface acidity and consequently enhanced the dehydration activity. It has been found that dehydration activity is related to the amount of surface acidity while the dehydrogenation of this alcohol is sensitive to NiO content.

                  Keywords

                  • NiO supported zirconia
                  • acidity of solid catalyst
                  • isopropanol conversion
                  Open Access

                  Electronic and structural properties of rare earth pnictides

                  Published Online: 27 Apr 2016
                  Page range: 45 - 52

                  Abstract

                  Abstract

                  In the present paper structural and electronic properties of rare earth pnictides have been presented. The present calculation has been performed using self-consistent tight binding linear muffin tin orbital (TB-LMTO) method within the local density approximation (LDA). The studied compounds undergo a structural phase transition from NaCl-type structure to CsCl-type structure. The electronic band structure and density of states of the pnictides have been reported. The equilibrium lattice parameter a (Å), bulk modulus B (GPa), number of f-states at the Fermi level Nf (states/Ry cell) and volume collapse of AmBi and CmBi have also been reported. The calculated equilibrium structural parameters are in good agreement with the available experimental results.

                  Keywords

                  • electronic band structure
                  • electronic properties
                  • phase transition
                  • density of states
                  Open Access

                  Electronic and optical properties of Mn–S co-doped anatase TiO2 from first-principles calculations

                  Published Online: 27 Apr 2016
                  Page range: 38 - 44

                  Abstract

                  Abstract

                  The electronic and optical properties of Mn–S co-doped anatase TiO2 were calculated using the plane-wave-based ultrasoft pseudopotential density functional method within its generalized gradient approximation (GGA). The calculated results show that the band gap of Mn–S co-doped TiO2 is larger than that of the pure TiO2, and two impurity bands appear in the forbidden band, one of which above the valence band plays a vital role for the improvement of the visible light catalytic activity. The Mn–S co-doped anatase TiO2 could be a potential candidate for a photo catalyst because of its enhanced absorption ability of visible light.

                  Keywords

                  • Mn–S co-doped TiO
                  • electronic structure
                  • optical properties
                  Open Access

                  Implant materials modified by colloids

                  Published Online: 27 Apr 2016
                  Page range: 33 - 37

                  Abstract

                  Abstract

                  Recent advances in general medicine led to the development of biomaterials. Implant material should be characterized by a high biocompatibility to the tissue and appropriate functionality, i.e. to have high mechanical and electrical strength and be stable in an electrolyte environment – these are the most important properties of bioceramic materials. Considerations of biomaterials design embrace also electrical properties occurring on the implant-body fluid interface and consequently the electrokinetic potential, which can be altered by modifying the surface of the implant. In this work, the surface of the implants was modified to decrease the risk of infection by using metal colloids. Nanocolloids were obtained using different chemical and electrical methods. It was found that the colloids obtained by physical and electrical methods are more stable than colloids obtained by chemical route. In this work the surface of modified corundum implants was investigated. The implant modified by nanosilver, obtained by electrical method was selected. The in vivo research on animals was carried out. Clinical observations showed that the implants with modified surface could be applied to wounds caused by atherosclerotic skeleton, for curing the chronic and bacterial inflammations as well as for skeletal reconstruction surgery.

                  Keywords

                  • implant
                  • electrokinetic potential
                  • nanosilver
                  • bioceramic
                  Open Access

                  Experimental and theoretical approaches on thermal and structural properties of Zn doped BSCCO glass ceramics

                  Published Online: 27 Apr 2016
                  Page range: 25 - 32

                  Abstract

                  Abstract

                  Thermal properties of Cu–Zn partially substituted Bi1.8Sr2Ca2Cu3.2-xZnxO10+δ (x = 0, 0.1 and 0.5) glass-ceramic systems have been investigated with the help of a differential thermal analyzer (DTA) by using Johnson-Mehl-Avrami-Kolmogorov (JMAK) approximation. Non-isothermal crystallization kinetics of the samples has been tested. The calculated values of activation energy of crystallization (E) and Avrami parameter (n) ranged between 306.1 and 338.3 kJ.mol-1 and 1.29 and 3.59, respectively. Crystallization kinetics was compared following the partial substitution, before and after Zn doping of the sample. In addition, by using a scanning electron microscope (SEM) and X-ray powder diffractometer (XRD), structural properties of Zn doped BSCCO glass-ceramic samples were determined. Surface morphology of the samples was studied by SEM measurements. Lattice parameters and volume of the samples were calculated from the XRD measurements.

                  Keywords

                  • BSCCO
                  • Zn-doped glass-ceramics
                  • thermal properties
                  Open Access

                  Complex permittivity, permeability and microwave absorbing properties of Co–Ti substituted strontium hexaferrite

                  Published Online: 27 Apr 2016
                  Page range: 19 - 24

                  Abstract

                  Abstract

                  M-type strontium ferrite with compositions SrFe(12-2x)CoxTixO19 (x = 0.0, 0.3, 0.5, 0.7, 1.0), were prepared by two route ceramic method. The effects of Co–Ti substitution on their microstructure, electromagnetic properties, and microwave absorptive behavior were analyzed. The complex permittivity (∊′-j∊″) and complex permeability (μ′-jμ″) have been measured from 8.2 to 12.4 GHz using a network analyzer. Scanning electron microscope was used to analyze the grain size distribution and porosity of the ferrite. X-ray diffraction confirmed the M-type structure of the doped strontium ferrite. Vibrating sample magnetometer was used to study hysteresis loop of the ferrite. This study suggests that the control of grain size, decrease in coercivity and enhanced values of dielectric constant and loss are effective means to improve microwave absorption. The dielectric constant and loss were enhanced in comparison to the permeability constant and loss over the entire frequency range.

                  Keywords

                  • dielectric properties
                  • hexaferrites
                  • magnetic properties
                  Open Access

                  Influence of Ta2O5 doping on mechanical and biological properties of silicate glass-ceramics

                  Published Online: 27 Apr 2016
                  Page range: 13 - 18

                  Abstract

                  Abstract

                  The mechanical properties of silicate glass-ceramics were evaluated based on the compressive strength tests. It was found that Ta2O5 addition improved densification, refinement of the microstructure and toughening of the bodies. The maximum compressive strength of the bodies with 1 mol% Ta2O5 was increased 3-fold (245.92 ±0.3 MPa) in comparison to undoped glass-ceramics which was measured to be 89.04 ±0.3 MPa, while for 3 mol% it became 4-fold (387.12 ±0.4 MPa) greater. The addition of Ta2O5 stabilized the system by controlling the biodegradation of the glass-ceramics. It effectively depressed the apatite formation as by addition of 3 mol% Ta2O5 no apatite layer was observed. It may be concluded from this study that mechanical and physical properties can be improved by the addition of Ta2O5, but at a cost of bioactivity. Still the optimized composition having Ta2O5 ⩽ 1 mol% may provide appropriate strength of biomaterials for high load bearing applications.

                  Keywords

                  • compressive strength
                  • bioactivity
                  • TaO
                  • glass-ceramics
                  Open Access

                  FMR study of samples obtained by nitriding and nitrides reduction of nanocrystalline iron

                  Published Online: 27 Apr 2016
                  Page range: 6 - 12

                  Abstract

                  Abstract

                  Samples obtained by nitriding of promoted nanocrystalline iron and the nitrides reduction at various nitriding potential in terms of thermodynamic parameters were investigated by electron paramagnetic resonance/ferromagnetic resonance (EPR/FMR) method at room temperature. Experimental FMR spectra were fitted by the Dysonian-type resonance lines arising from the presence of different Fe–N phases. The obtained FMR parameters allowed us to identify the component phases and to determine their magnetic properties. In general, the proposed simple method of decomposition of the FMR spectra produced results on the phase content in investigated samples that were consistent with XRD measurements and additionally, magnetic characteristics of the studied nanomagnets.

                  Keywords

                  • FMR
                  • nitriding
                  • Fe–N phases
                  • magnetic properties
                  Open Access

                  Raman spectroscopy and microwave dielectric properties of Sn substituted SrLa4Ti5O17 ceramics

                  Published Online: 27 Apr 2016
                  Page range: 1 - 5

                  Abstract

                  Abstract

                  SrLa4Ti5−xSnxO17 (0 ≤ x ≤ 2) ceramics were fabricated through solid state ceramic route and their microwave dielectric properties were investigated in an attempt to tune their temperature coefficient of resonant frequency (τf) to zero. The compositions were sintered to single phase SrLa4Ti5O17 and SrLa4Ti4.5Sn0.5O17 ceramics at x = 0 and x = 0.5, and SrLa4Ti4−xSnxO17 along with a small amount of La2Ti2O7 at x = 1. The major phase observed at x = 2 was La2Ti2O7 but along with SrLa4Ti4SnO17 and SrLa4Ti4O15 as the secondary phases. τf decreased from 117 to 23.0 ppm/°C but at the cost of dielectric constant (εr) and quality factor multiplied by resonant frequency (Qufo) which decreased from 65 to 33.6 and 11150 to 4191 GHz, respectively. The optimum microwave dielectric properties, i.e. τf = 38.6 ppm/°C, εr = 45.5 and Qufo = 7919 GHz, correspond to the SrLa4Ti5−xSnxO17 composition with x = 1.

                  Keywords

                  • ceramics
                  • microwave properties
                  • Raman spectroscopy
                  • SEM

                  Retraction

                  Open Access

                  Retraction

                  Published Online: 27 Apr 2016
                  Page range: 226 - 226

                  Abstract

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