Features of the structure and properties of β-FeSi<Subscript>2</Subscript> nanofilms and a β-FeSi<Subscript>2</Subscript>/Si interface

The electronic, geometric, and magnetic structure of nanofilms of the β phase of iron disilicide FeSi₂ with the (001), (100), and (010) surfaces have been simulated through density functional calculations. A substantial reconstruction of the (001) surface terminated with silicon atoms has been observed, which was accompanied by an increase in the surface symmetry and appearance of “squares” of silicon atoms. Analysis of the electron density of states (DOS) and spin DOS projected on the contributions of layers of atoms (LSDOS) indicates that all plates have metallic properties. The main contribution near the Fermi level comes from the surface iron layers and it decreases rapidly with an increase in the distance from the surface of the plate. Analysis of the calculated effective magnetic moments of atoms shows that the surface layers in the plates have a significant magnetic moment, in particular, iron layers on the (001) surface (1.89 μ_B/atom). The moments of atoms decrease rapidly with an increase in their distance from the surface. The electron and geometric regions of a (001)Si/FeSi₂ interface have been studied. Analysis of the LSDOS shows that the surface conducting state mainly determined by the contribution from the near-surface silicide layers is implemented in this region. The possibility of the formation of the perfect and sharp Si/FeSi₂ interface has been demonstrated.     

Synthesis of azo benzothiazole polymer and its application of 1 × 2 Y-branched and 2 × 2 Mach–Zehnder interferometer switch

The azo benzothiazole polyurethane–urea (ABPUU) was synthesized from chromophore molecule 4-[(6-nitrobenzothiazole-2-yl)diazenyl]phenyl-1,3-diamine NBDPD, polyether polyol (NJ-210) and isophorone diisocyanate (IPDI). The structure, thermal property, mechanical property and physical property were characterized and investigated. The refractive index (n) and thermo-optic coefficient (dn/dT) of ABPUU was determined at different temperature and wavelength (532 nm, 650 nm and 850 nm) using attenuated total reflection (ATR) technique. Using the CCD digital imaging devices, transmission loss of ABPUU was measured. A 1 × 2 Y-branched and 2 × 2 Mach–Zehnder interferometer (MZI) switch with two rib waveguides, dual driving electrodes and two critical 3-dB couplers polymeric thermo-optic switches based on thermo-optic effect of prepared ABPUU were designed and simulation. The power consumption of the Y-branched switch is less than 0.84 mW. The Y-branched and MZI switching rising and falling times obtained are 0.8 ms and 0.2 ms, respectively.     

Dynamical behaviour of PtRh(100) alloy surface during dissociative adsorption of NO and reaction of NO with H2

When a clean Pt-Rh(100) alloy surface was exposed to NO at T > 440 K, the LEED pattern changed sequentially as p(1 × 1) → c(2 × 2) → c(2 × 2) + p(3 × 1) → p(3 × 1), where the c(2 × 2) pattern appeared immediately after the exposure to NO. In contrast to this, the appearance time for the p(3 × 1) depends strongly on the initial Rh concentration on the surface adjusted by annealing. When the p(3 × 1) surface was exposed to H₂ by mixing H₂ into NO gas, the AES intensity of O(a) decreased and of N(a) increased markedly and the LEED pattern changed from p(3 × 1) to c(2 × 2). These results suggest that N(a) has equal affinity to Pt and Rh atoms so that the N(a) does not distinguish the Pt and Rh sites on the alloy surface. On the other hand, O(a) makes a stronger bond with Rh atoms so that Rh atom segregation onto the surface is induced. By reacting randomly distributed Rh atoms on the Pt-Rh(100) surface with oxygen, a surface compound in a p(3 × 1) arrangement is built on the surface.     

Time-dependent wave packet theoretical study of femtosecond photoelectron spectra and coupling between the A<Superscript>2</Superscript>Σ<Superscript>+</Superscript> and B<Superscript>2</Superscript>Π states of the NO molecule in a strong laser field

In this work, the femtosecond time-resolved photoelectron spectra and the coupling between the A²Σ⁺ and B²Π states of the NO molecule in a strong laser field have been investigated by the time-dependent wave packet method. We demonstrate that the weak coupling between the A²Σ⁺ and B²Π states of NO plays a key role on the peak centered at 0.37 eV of the photoelectron spectra in the 2+1’ channel.     

Synthesis and Gas-Sensing Properties of MnO2 – x and MnO2 – x/CuO-Coated Multiwalled Carbon Nanotube Nanocomposites

Physics of the Solid State - Nanocomposites based on multiwall carbon nanotubes (MWCNTs) impregnated with manganese oxide MnO2&nbsp;–&nbsp;x and copper oxide CuO are synthesized and...     

Removal of NOx from NO2∶NO∶N2 mixture by a pulsed and dc streamer corona in a needle-to-plate reactor

The results of laboratory experiments on reduction of NO _x in the oxygen free gas mixture NO₂NON₂ simulating exhaust gas, by means of pulsed and dc streamer corona discharges generated in a needle-to-plate reactor have been presented. The results show that the dc corona discharge is more efficient in De-NO _x process than the pulsed corona discharge. This is in contrast to the results obtained in the wire-to-cylinder reactors where the pulsed corona discharge removes NO _x more efficiently. The results also lead to the conclusion that in the dc streamer corona discharge the short pulses and long interelectrode distances are recommended in order to increase the NO _x conversion rate.Presented at 17^th Symposium Plasma Physics and Technology, Prague, June 13–16, 1995.This work was financially supported by the Polish Academy of Sciences (projects IMP 3.1 and 3.3) and by the Polish Committee for Scientific Research (KBN Grant No. P40103304).     

Magnetic Faraday modulation spectroscopy of the 1–0 band of 14NO and 15NO

Magnetic rotation spectroscopy signals of the nitric oxide (NO) fundamental band near 5 μm have been observed and compared with calculated signals. This spectroscopic approach exploits magnetic field modulation in the Faraday configuration for very sensitive detection of NO. Line shapes and strengths of the Faraday signals depend on molecular parameters, like J and Ω quantum numbers of the transitions involved, and on experimental parameters, like pressure of the gas sample and applied external magnetic field strength. In this study we implemented a software model which provides a simulation of the complete v=1–0 Faraday spectrum of NO. The algorithm considers the magnetic field modulation, the collisional and Doppler broadening of the line shapes, and the line intensities of ¹⁴NO and ¹⁵NO fundamental band lines. Optimum values for pressure and magnetic field modulation for maximum sensitivity are given. Suitable spectral windows for simultaneous detection of ¹⁴NO and ¹⁵NO are discussed. Experimental data were obtained in the wavenumber region from 1840 to 1900 cm^?1 by means of a CO sideband laser and a quantum cascade laser. Comparison between calculated and observed signals shows excellent agreement.     

Dynamic modelling and simulation of 15N separation by chemical exchange in NO,NO2–HNO3 system

The dynamic behaviour of a ¹⁵N separation process by chemical exchange in a NO, NO₂–HNO₃ system has been analysed based on an accurate mathematical model. A nonlinear system of first-order partial differential equations was determined by considering the multiple exchange reactions between the components of the gaseous mixture and the liquid phase constituents. The mathematical model of the process describes the space–time variation of the ¹⁵N mole fraction in gas and liquid phases and provides a better understanding of operating limits and decision support in process design and optimisation.     

Effect of the humidity on the uptake of NO<Subscript>3</Subscript> on coatings composed of MgCl<Subscript>2</Subscript> · 6H<Subscript>2</Subscript>O and MgBr<Subscript>2</Subscript> · 6H<Subscript>2</Subscript>O and mixtures thereof with NaCl

The reactive uptake of NO₃ radicals on the surface of wetted individual X salts and of wetted X-NaCl salts (X = MgCl₂ · 6H₂O and MgBr₂ · 6H₂O) at [H₂O] = 2 × 10¹²−2 × 10¹⁵ cm⁻³ and NO₃ (4.8 × 10¹² cm⁻³) was studied using a reactor with a movable insert covered with a salt coating in combination with a mass spectrometer for monitoring the initial reactant and products. The probabilities of NO₃ uptake γ on X-NaCl binary salts as functions of the content of doping salt were determined. A parametric approximation of the experimental data was proposed, which makes it possible to quantitatively predict the extent of surface enrichment of a wetted binary salt coating in doping salt and its dependence on the humidity and the content of this salt in the binary mixture. It was established that the relative surface density σ_X of X doping salt depends on its mole fraction μ_X in the X-NaCl binary salt as σ_X = aμ_X (a = 2.2 for MgBr₂ and 13.1 for MgCl₂) over the entire humidity range covered. The contributions of the X salts to the overall uptake of NO₃ at NO₃ concentration typical of the tropospheric conditions ([NO₃] ∼ 10⁷ cm⁻³ and relative humidities of RH ≤ 20%) were estimated.     

Density functional theory study of NO2-sensing mechanisms of pure and Ti-dopedWO3 （002） surfaces

Density functional theory (DFT) calculations are employed to explore the NO₂-sensing mechanisms of pure and Ti-doped WO₃ (002) surfaces. When Ti is doped into the WO₃ surface, two substitution models are considered: substitution of Ti for W_6c and substitution of Ti for W_5c. The results reveal that substitution of Ti for 5-fold W forms a stable doping structure, and doping induces some new electronic states in the band gap, which may lead to changes in the surface properties. Four top adsorption models of NO₂ on pure and Ti-doped WO₃ (002) surfaces are investigated: adsorptions on 5-fold W (Ti), on 6-fold W, on bridging oxygen, and on plane oxygen. The most stable and likely NO₂ adsorption structures are both N-end oriented to the surface bridge oxygen O_1c site. By comparing the adsorption energy and the electronic population, it is found that Ti doping can enhance the adsorption of NO₂, which theoretically proves the experimental observation that Ti doping can greatly increase the WO₃ gas sensor sensitivity to NO₂ gas.     

Double EIT and enhanced EIT signal in a combination of Λ- and V-type system of Rb-D<Subscript>2</Subscript> transition

We report the experimental observations of double EIT and enhanced EIT signal in a combination of Λ- and V-type multi-level system of the D₂ transition of ⁸⁵Rb atoms interacting with three laser fields. The EIT formation under a Λ-type and V-type systems is also observed separately. It is found that the EIT width in a V-type system becomes narrower than the Λ-type system. Also the effect of frequency detuning of the control laser on the probe absorption profile is studied in presence of Λ- and V-type EIT systems.     

Perturbative analysis of the 2νββ decays of <Superscript>100</Superscript>Mo and <Superscript>116</Superscript>Cd

We have performed a theoretical analysis of the ground-state-to-ground-state transitions in ¹⁰⁰Mo and ¹¹⁶Cd, based on the quasiparticle random-phase approximation and on a straightforward perturbative scheme. The results show that the single-state dominance found in the realistic calculations of the nuclear matrix elements, which is consistent with data, can be viewed as a result of the interference between few two-quasiparticle configurations. Received: 12 August 2002 / Accepted: 23 October 2002 / Published online: 18 February 2003 RID="a" ID="a"e-mail: civitarese@fisica.unlp.edu.ar Communicated by V.V. Anisovich     

Structural and thermoluminescence properties of undoped and Fe-doped-TiO<Subscript>2</Subscript> nanopowders processed by sol–gel method

In this study, we report on the nanocrystalline powders of TiO₂ and Fe-doped TiO₂ (anatase and rutile phases) prepared by sol–gel method. The X-ray diffraction and Raman spectroscopy measurements indicated the presence of anatase or rutile phase in nanopowders. TEM micrographs showed 10 and 112 nm average particle sizes for anatase and rutile, respectively. Furthermore, their thermoluminescence properties were analyzed.     

Sonochemical nitrogen fixation for the generation of NO2− and NO3− ions under high-powered ultrasound in aqueous medium

Sonochemical species such as nitrite (NO₂⁻) and nitrate (NO₃⁻) were detected in ultrapure aqueous medium with 28 kHz low frequency ultrasound (US) in the range of 200–1200 W output power. The concentration of their anionic ions monitored with a high-performance liquid chromatography increased with increasing US power especially under air atmosphere. When the generation of NO₂⁻ and NO₃⁻ ions under US exposure was investigated for N₂, O₂ and Ar-bubbled solutions, no trace of NO₂⁻ was observed while NO₃⁻ was slightly generated. Under air atmosphere, the concentration of dissolved oxygen in the aqueous medium increased especially when 1200 W power was used. In addition, the bulk pH shifted towards the acidic side with an increase in exposure time, which indicated that NO₂⁻ was formed. The formation of oxidizing species under 28 kHz low frequency ultrasonic treatment was confirmed with an absorption spectrum which was dominated by two maxima peaks at 288 nm and 352 nm representing triiodide I₃⁻ anion.     

The development of the physical and electrical characteristics of multi-layer TiO<Subscript>2</Subscript>–W–TiO<Subscript>2</Subscript> thin films

In this study, two different thin films, TiO₂ thin film and TiO₂–W–TiO₂ multi-layer thin films (W, tungsten), are prepared by RF magnetron sputtering onto glass substrates. The crystal structure, morphology, and transmittance of TiO₂ and TiO₂–W–TiO₂ multi-layer thin films are investigated by X-ray diffraction, SEM, and UV-Vis spectrometer, respectively. The amorphous, rutile, and anatase TiO₂ phases are observed in the TiO₂ thin film and in the TiO₂–W–TiO₂ multi-layer thin films. The deposition of tungsten as the inter-layer will have large effect on the transmittance and phase ratios of rutile and anatase phases in the TiO₂–W–TiO₂ multi-layer thin films. The crystal intensities of amorous TiO₂ will decrease as the tungsten is used as the middle layer in the multi-layer structure. The band gap energy values of TiO₂ thin film and TiO₂–W–TiO₂ multi-layer thin films are evaluated from (αhν)^1/2 versus energy plots, and the calculated results show that the energy gap decreases from 3.21 eV (TiO₂ thin film) to 3.08∼3.03 EV (TiO₂–W–TiO₂ multi-layer thin films).     

Incoherent broad-band cavity-enhanced absorption spectroscopy for simultaneous trace measurements of NO2 and NO3 with a LED source

In the past decade, due to a growing awareness of the importance of air quality and air pollution control, many diagnostic tools and techniques have been developed to detect and quantify the concentration of pollutants such as NO _x , SO _x , CO, and CO₂. We present here an Incoherent Broad-Band Cavity-Enhanced Spectroscopy (IBB-CEAS) set-up which uses a LED emitting around 625 nm for the simultaneous detection of NO₂ and NO₃. The LED light transmitted through a high-finesse optical cavity filled with a gas sample is detected by a low resolution spectrometer. After calibration of the spectrometer with a NO₂ reference sample, a linear multicomponent fit analysis of the absorption spectra allows for simultaneous measurements of NO₂ and NO₃ concentrations in a flow of ambient air. The optimal averaging time is found to be on the order of 400 s and appears to be limited by the drift of the spectrometer. At this averaging time the smallest detectable absorption is 2×10⁻¹⁰ cm⁻¹, which corresponds to detection limits of 600 pptv for NO₂ and 2 pptv for NO₃. This compact and low cost instrument is a promising diagnostic tool for air quality control in urban environments.     

NO 3 2− and CO 2 − centers in synthetic hydroxyapatite: Features of the formation under γ- and UV-irradiations

The EPR studies of synthetic hydroxyapatite containing carbonate and nitrate ions exposed to γ-ray and UV irradiations have been performed. It has been found that γ irradiation leads to the formation of both NO₃²⁻ and CO₂⁻ paramagnetic centers, while the UV irradiation induces only NO₃²⁻ centers. To explain this fact, the hypothesis has been proposed, according to which in the hydroxyapatites studied, there coexist complexes consisting of nitrate ions and shallow electron traps that serve as sources of secondary electrons during UV irradiation. The EPR spectroscopy parameters (g and A) of the detected centers have been determined and compared with similar centers in hydroxyapatite with a different impurity composition. The study of the thermal stability of the centers has demonstrated that, in the temperature range 20–300°C, the NO₃²⁻ centers formed by UV irradiation are more stable than the same centers created by γ-ray irradiation.     

Recrystallization and formation of spheroidal gold particles in amorphous-like AlN–TiB<Subscript>2</Subscript>–TiSi<Subscript>2</Subscript> coatings after annealing and subsequent implantation

The recrystallization of the structure of an X-ray amorphous AlN–TiB₂–TiSi₂ coating containing short-range order regions with characteristic sizes of 0.8–1.0 nm has been performed using a negative gold ion (Au^–) beam and high-temperature annealing. Direct measurements using methods of high-resolution transmission electron microscopy (HRTEM) and energy-dispersive X-ray spectral (EDXS) microanalysis have demonstrated that thermal annealing at a temperature of 1300°C in air results in the formation of nanoscale (10–15 nm) phases AlN, AlB₂, Al₃O₃, and TiO₂, whereas the ion implantation of negative ions Au^– leads to a fragmentation (decrease in the size) of nanograins to 2–5 nm with the formation of spheroidal gold nanocrystallites a few nanometers in size, as well as to the formation of an amorphous oxide film in the depth (near-surface layer) of the coating due to ballistic ion mixing and collision cascades.     

Reactions of initiation of the autoignition of H<Subscript>2</Subscript>–O<Subscript>2</Subscript> mixtures in shock waves

The initiation of the autoignition of hydrogen–oxygen–argon mixtures behind reflected shock waves is studied by absorption and emission spectrophotometry in the temperature range of 960 < T < 1670 K at pressures of ~0.1 MPa. Introduction of Mo(CO)₆ additive in an amount of ~80 ppm made it possible to study the effect of O atoms on the shortening of the ignition delay time of H₂–O₂–Ar mixtures. A kinetic modeling of our own and published experimental data at temperatures of 930 < T < 2500 K and pressures of 0.05 < P < 8.7 MPa enabled to establish how the initiation reactions influence the process of self-ignition and to evaluate the rate constant for one of the initiation reactions: k(H₂ + O₂ → 2OH) = (3 ± 1) × 10¹¹exp(–E _a/RT), cm³ mol^–1 s^–1, where E _a = (40 ± 2) kcal/mol.