Electrodeposition of TiO2–RuO2–IrO2 coating on titanium substrate

TiO₂, RuO₂, and IrO₂ transition metal oxides have many applications in the field of applied electrochemistry. In this work, the mixed solid solutions of TiO₂–RuO₂–IrO₂ coatings have been electrodeposited from aqueous–unaqueous baths.     

Preparation and high-temperature properties of Au nano-particles doped α-Al2O3 composite coating on TiAl-based alloy

Au nano-particles doped α-Al₂O₃ composite coatings were successfully prepared on TiAl-based alloy by electrodeposition, using the Al₂O₃ sols with minor addition of HAuCl₄ solution. The even distribution of Au nano-particles (<2.0 wt.%) in the α-Al₂O₃ matrix has been observed. Isothermal oxidation tests of the samples coated with the as-prepared novel coatings at 900 °C in static air for 200 h shown that the oxygen inward diffusion can be effectively suppressed to a low level. The results of high-temperature cyclic oxidation test at 900 °C in air revealed that the oxidation and spallation resistance of TiAl-based alloy were improved significantly under thermal cycling. In the as-prepared coatings, cracks were shielded by means of crack bridging and the fracture resistance of the formed scales can be improved by toughening effects of the composite structure. Surface scratching tests after the cyclic oxidation exhibited that the adhesion of the formed composite scale on TiAl-based alloy was remarkably improved by the Au nano-particles doped α-Al₂O₃ composite coating.     

Synthesis and formation mechanism of Ag–Ni alloy nanoparticles at room temperature

Ag–Ni nanoparticles were prepared with a chemical reduction method in the presence of polyvinylpyrrolidone (PVP) used as a stabilizing agent. During the synthesis of Ag–Ni nanoparticles, silver nitrate was used as the Ag⁺ source while nickel sulfate hexahydrate was used as Ni²⁺ source. Mixed solutions of Ag⁺ source and Ni²⁺ source were used as the precursors and sodium borohydride was used as the reducing agent. Five ratios of Ag⁺/Ni²⁺ (9:1, 3:1, 1:1, 1:3, and 1:9) suspensions were prepared in the corresponding precursors. Ag–Ni alloy nanoparticles were obtained with this method at room temperature. Scanning electronic microscope (SEM), energy dispersive spectrum (EDS), high resolution transmission electron microscope (HRTEM) were used to characterize the morphology, composition and crystal structure of the nanoparticles. The crystal structure was also investigated with X-ray diffraction (XRD). In all five Ag/Ni ratios, two kinds of particle structures were observed that are single crystal structure and five-fold twinned structure respectively. Free energy of nanoparticles with different crystal structures were calculated at each Ag/Ni ratio. Calculated results revealed that, with identical volume, free energy of single crystal particle is lower than multi-twinned particle and the difference becomes smaller with the increase of particle size; increase of Ni content will lead the increase of free energy for both structures. Formation of different crystal structures are decided by the structure of the original nuclei at the very early stage of the reduction process.     

Preparation and photocatalytic properties of hybrid core–shell reusable CoFe2O4–ZnO nanospheres

Magnetically separable and reusable core–shell CoFe₂O₄–ZnO photocatalyst nanospheres were prepared by the hydrothermal synthesis technique using glucose derived carbon nanospheres as the template. The morphology and the phase of core–shell hybrid structure of CoFe₂O₄–ZnO were assessed via TEM, SEM and XRD. The magnetic composite showed high UV photocatalytic activity for the degradation of methylene blue in water. The photocatalytic activity was found to be ZnO shell thickness dependent. Thicker ZnO shells lead to higher rate of photocatalytic activity. Hybrid nanospheres recovered using an external magnetic field demonstrated good repeatability of photocatalytic activity. These results promise the reusability of the hybrid nanospheres for photocatalytic activity.     

Tunable intrinsic optical bistability of Au–Ag alloy nanoparticle: effects of spatial position and Au composition

The intrinsic optical bistability (IOB) of an Au–Ag alloy nanosphere is theoretically investigated. Calculation results based on quasi-static theory and Kerr nonlinearity show that the optical bistable behavior for both spatial average response and local field at the hot location only exists when the local electric field is enhanced and exceed the threshold intensity, which is dependent on the spatial position and gold composition. Our theoretic investigation also presents a physical picture of how the local field enhancement affects the IOB characters of the alloy nanoparticles.     

Effects of O2–CO2 polarization beating on femtosecond coherent anti-Stokes Raman scattering (fs-CARS) spectroscopy of O2

Femtosecond coherent anti-Stokes Raman scattering (fs-CARS) spectroscopy has recently emerged as a promising laser-based temperature-measurement technique in flames. In fs-CARS, the broad spectral bandwidths of the pump and Stokes lasers permit the coupling of each ro-vibrational Raman transition via a large number of pump-Stokes photon pairs, creating a strong Raman coherence. However, the broad-bandwidth fs pulses also excite other molecular transitions that are in resonance. The polarization beating between these closely spaced Raman transitions can affect the coherence dephasing rate of the target molecule, making it difficult to extract accurate medium temperature. In a previous study our group investigated N₂/CO polarization beating in N₂ fs-CARS; in the present work we study O₂/CO₂ polarization beating in O₂ fs-CARS. O₂ fs-CARS can be particularly important for thermometry in non-air-breathing combustion in the absence of N₂. The effects of O₂/CO₂ polarization beating are investigated in the temperature range 300–900 K at atmospheric pressure and also at 300 K for pressures up to 10 bar. Unlike in the N₂/CO system, it was observed in the O₂/CO₂ system that the presence of CO₂ can significantly alter the time evolution of the Raman coherence and, hence, affect the measured temperature.     

Magnetic and structural properties of CaO–SiO2–P2O5–Na2O–Fe2O3 glass ceramics

Magnetic properties of glass ceramics derived from glasses with composition 41CaO·(52−x)SiO₂·4P₂O₅·xFe₂O₃·3Na₂O (2?x?10 mol% iron oxide (Fe₂O₃)) are reported. Structural investigation revealed the presence of nanocrystalline magnetite phase in the heat-treated samples containing x?2 mol% Fe₂O₃. Magnetic hysteresis cycles of the glass-ceramic samples were obtained with a maximum applied field of ±20 kOe as well as a low field of ±500 Oe, in order to evaluate the potential of these glass ceramics for hyperthermia treatment of cancer. Samples with x>2 mol% of iron oxide exhibited magnetic behavior similar to soft magnetic materials with low coercivity. The evolution of magnetic properties in these samples as a function of iron oxide molar concentration is correlated with the amount and crystallite size of magnetite phase present in them.     

Microstructure and switching mechanism of stacked CoCrPt–SiO2 perpendicular recording media

Perpendicular magnetic recording media consisting of two stacked CoCrPt–SiO₂ recording layers incorporating different O₂ content in each layer were studied. The samples used Ru intermediate layers. With increasing O₂ levels in the lower recording layer, the samples exhibited marginal change in the crystallographic texture, and superior overall magnetic properties such as higher coercivity and improved exchange decoupling. However, the media grain size remained unchanged. Investigations into the switching mechanism by means of virgin and isothermal remanence magnetization measurements showed the predominance of Stoner–Wohlfarth coherent reversal modes in all samples. The thermal stability dropped slightly. A model that describes the evolution of the microstructure in stacked perpendicular recording media is presented to understand these observations.     

Modification of the optical spectra of mixed K2CoxNi1–x(SO4)2?6H2O crystals

We propose a new method for obtaining K₂Co _x Ni_1–x (SO₄)₂⋅6H₂O (x = 0, 0.4, 0.8, 1) crystals, involving the use of the chlorides (CoCl₂⋅6H₂O and NiCl₂⋅6H₂O) in an aqueous solution instead of the widely used sulfates. We have studied the transmission spectra of the grown single crystals in the range λ = 200–900 nm and the IR reflectance spectra in the 2.5–20 μm region. We have observed a change in the position and intensity of the absorption bands as a function of the composition of the crystals. Based on the Tanabe–Sugano diagrams, we determined the crystal field splitting (D_q) and its dependence on the nickel concentration. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 76, No. 1, pp. 126–130, January–February, 2009.     

Investigation of structural,physical and optical properties of CeO2–Bi2O3–B2O3 glasses

xCeO₂–30Bi₂O₃–(70−x) B₂O₃ glasses are synthesized by using the melt quench technique. A number of studies such as XRD, density, molar volume, optical band gap, refractive index and FTIR spectroscopy are employed to characterize the glasses. The band gap decreases from 2.15 to 1.61 eV, refractive index increases from 2.67 to 2.93 and density increases from 4.151 to 4.633 g/cm³. The decrease in band gap with CeO₂ doping approaches the semiconductor behavior. FTIR spectroscopy reveals that incorporation of CeO₂ into glass network helps to convert the structural units of [BO₃] into [BO₄] and results in Bi–O bond vibration of [BiO₆].     

Total cross sections for scattering of electrons from O2, H2O, H2, O3, CO and CO2 at 100－2000eV

A complex optical model potential rewritten by the concept of bonded atom, which considers the overlap of electron clouds, is employed to calculate the total cross sections for electron scattering from several simple molecules (O_2, H_2O, H_2, O_3, CO and CO_2) consisting of C, H and O atoms in an incident energy range of 100－2000eV by the use of the additivity rule at Hartree－Fock level. In the study, the complex optical potential composed of static, exchange, correlation polarization plus absorption contributions firstly uses the bonded-atom concept. The quantitative molecular total cross section results are compared with experimental data and with the other calculations wherever available and good agreement is obtained. It is shown that the additivity rule along with the complex optical model potential rewritten by the concept of bonded atom can be used successfully to calculate the total cross section of electron－molecule scattering above 100eV, whereas the rule together with the complex optical model potential not rewritten by the concept of bonded atom is only successfully used above 300－500eV. So, the introduction of the bonded-atom concept in the complex optical potential can improve the accuracy of the total cross section calculations.     

不同浓度FeCl3·6H2O,CuSO4·5H2O和MnCl2·4H2O溶液核磁共振横向弛豫时间研究

利用核磁共振技术,测量了不同浓度的FeCl3.6H2O,CuSO4.5H2O和MnCl2.4H2O水溶液的核磁共振信号及横向弛豫时间.实验结果表明横向弛豫时间T2与顺磁离子浓度成反比关系,并由实验结果获得了通过核磁共振横向弛豫时间测量离子浓度的方法.     

FTIR structural investigation of gamma irradiated BaO–Na2O–B2O3–SiO2 glasses

Fourier transform infrared (FT-IR) spectra of xBaO–15Na₂O–(70−x)B₂O₃–15SiO₂ glass system with x=0, 5, 10, 15 and 20 (mol%) has been measured in the spectral range 400–4000 cm⁻¹ at room temperature in order to understand the characteristic frequencies of the chemical bonds and bonding mechanisms, which are susceptible to the structural and spectral changes. The effect of gamma irradiation in the dose range 0.1 kGy–60 kGy on the infrared absorption spectra of these glasses is also reported. The change in the glass structure due to the effect of composition is also discussed. It has been observed that irradiation of the glasses with the gamma rays increases the BO₃ groups and the non bridging oxygens which make the network loose.     

Preparation and characteristics of?a?BaO–Al2O3–B2O3–SiO2–La2O3 glass ceramic via spray pyrolysis

The characteristics of a BaO–Al₂O₃–B₂O₃–SiO₂–La₂O₃ glass ceramic prepared by spray pyrolysis were studied. Glass powders with spherical shape and amorphous phase were prepared by complete melting at a preparation temperature of 1 500°C. The mean size and geometric standard deviation of the powders prepared at the temperature of 1 500°C were 0.6 μm and 1.3. The glass powders had similar composition to that of the spray solution. The glass transition temperature (T _g) of the glass powders was 600.3°C. Two crystallization exothermic peaks were observed at 769.3 and 837.8°C. Densification of the specimen started at a sintering temperature of 600°C, in which Ba₄La₆O(SiO₄)₆ as main crystal structure was observed. Complete densification of the specimen occurred at a sintering temperature of 800°C. The specimens sintered at temperatures above 800°C had main crystal structure of BaAl₂Si₂O₈.     

Investigation of ultra-thin and flexible Au–Ag–Au transparent conducting electrode

The performance of ultra-thin Au–Ag–Au tri-layer film deposited thermally over a flexible substrate is investigated using structural, optical, mechanical and electrical-transport measurements. The optimum total thickness of the tri-layer for high transparency and conductivity is determined to be around 8 nm using a theoretical model. The Au–Ag–Au tri-layer shows maximum transmittance (≅ 62%) at wavelength 500 nm. XRD pattern shows peak corresponding to (111) plane of Au and/or Ag. Sheet resistance (≅ 10.42 Ω/□) measured at 300 K using four probe technique is stable up to 150 °C. Hall effect measurements show high conductivity (1.34 × 10⁵ (Ω cm)⁻¹), carrier concentration (2.48 × 10²³/cm³), and mobility (3.4 cm²/Vs). Scotch tape test confirms good adhesion of the film onto PET substrate. Bending-twisting tests using an indigenous apparatus indicate high resistance-stability even after 50,000 cycles. These results imply the viability of Au–Ag–Au tri-layer film as a transparent conducting electrode worth exploring for optoelectronic applications.     

掺杂对MoS2吸附H2的电子结构影响

本文应用Materials Studio软件对MoS₂分别进行了Si、O、N原子的替换掺杂,以探究掺杂和吸附对MoS₂材料的电子结构的影响。研究发现：稳定性由强到弱依次为：O-MoS2-H₂、MoS₂-H₂、N-MoS₂-H₂、Si-MoS₂-H₂,即O-MoS₂-H₂的形成能最低,为相对最稳定的结构;掺杂后体系的成键形式更有可能为离子键;吸附和掺杂均能影响MoS₂电子结构,MoS₂-H₂、O-MoS₂-H₂、Si-MoS₂-H₂能隙值处于0～2.0eV之间,体系表现为半导体性,N-MoS₂-H₂能隙值为0eV,体系表现为金属性;掺杂体系中总态密度主要是...     

Dissociation of H2 molecule on the β-Ga2O3 (100)B surface: The critical role of oxygen vacancy

We systematically study the dissociation of H₂ molecules on the β-Ga₂O₃ (100)B surface, with the influences of surface oxygen vacancy being considered. After introducing the surface oxygen vacancy, the nearest topmost O(I) atom becomes very active, and hydrogen molecules become much easier to dissociate.     

Effect of Coulomb blockade on the switching time of Ag–Ag2S–Pt atomic switches

A theoretical model based on the single electron tunneling phenomenon is employed to calculate the time-dependent electrical resistance of an Ag–Ag₂S–Pt atomic switch at different applied voltages. While a negative voltage is applied to Pt electrode, Ag atoms precipitate on the surface of Ag₂S electrode where they form Ag clusters. The resistance of switch decreases as Ag clusters grow larger between two electrodes. Our model calculations imply the time required to decrease the resistance of switch below the resistance quantum (switching time) is mainly determined by the Coulomb blockade effect of Ag clusters. The switching time is found to decrease exponentially with increasing the applied voltage, which agrees very well with the experimental observations.     

Electrostatic assembles and optical properties of Au–CdTe QDs and Ag/Au–CdTe QDs

Au–CdTe and Ag/Au–CdTe assembles were firstly investigated through the static interaction between positively charged cysteamine-stabilized CdTe quantum dots (QDs) and negatively charged Au or core/shell Ag/Au nano-particles (NCs). The CdTe QDs synthesized in aqueous solution were capped with cysteamine which endowed them positive charges on the surface. Both Au and Ag/Au NCs were prepared through reducing precursors with gallic acid obtained from the hydrolysis of natural plant poly-phenols and favored negative charges on the surface of NCs. The fluorescence spectra of CdTe QDs exhibited strong quenching with the increase of added Au or Ag/Au NCs. Railey resonance scattering spectra of Au or Ag/Au NCs increased firstly and decreased latter with the concentration of CdTe QDs, accompanied with the solution color changing from red to purple and colorless at last. Experimental results on the effects of gallic acid, chloroauric acid tetrahydrate and other reagents demonstrated the static interaction occurred between QDs and NCs. This finding reveals the possibilities to design and control optical process and electromagnetic coupling in hybrid structures.     

H2-broadening coefficients in the ν2 and ν4 bands of PH3

H₂-broadening coefficients are measured for 41 transitions of PH₃ in the QR branch of the ν₂ band and the PP, RP, and PQ branches of the ν₄ band, using a tunable diode-laser spectrometer. The recorded lines with J values ranging from 2 to 16 and K from 0 to 11 are located between 995 and . The collisional widths are determined by fitting each spectral line with a Voigt profile, a Rautian profile, and a speed-dependent Rautian profile. The latter model provides larger broadening coefficients than the Voigt model. These coefficients γ₀(J,K) are found to decrease slightly on the whole as J increases and they decrease significantly for K values approaching or equal to J(J?4). The H₂-broadenings are also calculated on the basis of a semiclassical model of interacting linear molecules, using an atom-atom Lennard-Jones potential in addition to the weak electrostatic contributions. The theoretical results are in satisfactory agreement with the experimental data and reproduce the J and K dependencies of the broadenings, but the decrease observed for the QR(J,K) transitions with K=J is notably overestimated.