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Gold catalysts supported on CeO2 and CeO2–Al2O3 for NO reduction by CO
2006
Abstract The reduction of NO x by CO was studied over gold catalyst supported on ceria and ceria–alumina. The mixed supports with different CeO 2 /Al 2 O 3 ratios were prepared by co-precipitation. The catalysts were characterized by means of XRD, TPR, XPS and Raman spectroscopy. The addition of alumina led to a slight enlargement of the gold particles, while the ceria particle size was decreased. Deeper oxygen vacancies formation in the presence of alumina was detected by TPR, XPS and Raman spectroscopy, compared to the pure ceria support. The samples exhibited a high and stable activity and 100% selectivity towards N 2 was reached at 200 °C.
Effect of Ti(IV) loading on CO oxidation activity of gold on TiO2 doped amorphous silica
2006
Abstract Amorphous SiO 2 , doped with various amount of TiO 2 , was used as support for gold nanoparticles. Gold was deposited through the controlled sol formation technique. The effect of the TiO 2 loading on the structural and surface properties was investigated by transmission electron microscopy, X-ray diffraction, Raman and X-ray photoelectron spectroscopy. The catalytic behavior was tested in the oxidation of CO. A significant enhancement in the activity was observed for the gold supported on mixed oxide with low TiO 2 loading. On the basis of characterization data, the positive effect is assigned to the electronic modification of the Ti(IV) of the newly formed Ti O Si bonds.
Structural characterisation of silica supported CoMo catalysts by UV Raman spectroscopy, XPS and X-ray diffraction techniques
2002
The structure of Co-Mo catalysts supported on commercial silica, doped with various amounts of sodium ions, was investigated by means of X-ray diffraction (XRD), UV-Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). Two series of samples were considered. One series was prepared by classic incipient wet impregnation (WI) and the other series by co-impregnation in the presence of nitrilotriacetic acid (NTA). The effect of sodium on the catalyst structure depended on the preparation procedure: in the case of the WI catalysts, sodium promoted the transformation of the polymolybdate species into monomolybdate Na2MoO4; in the case of the NTA prepared samples, sodium induced transforma…
Structural and spectroscopic study of the Br2...3-Br-pyridine complex by DFT calculations.
2007
Abstract The structure and the Raman vibrational spectrum of the complex Br 2 ⋯3-Br-pyridine are determined by DFT calculations using different parametrizations. The calculations are performed taking into account the effects of the dichloromethane as solvent by the CPCM method. A value of 39 kJ mol −1 for the formation enthalpy and of 1 kJ mol −1 for the formation free energy at room temperature in presence of the solvent is found. The predicted Raman spectrum is compared with the experimental one and the essential features of the spectrum are well reproduced by the B3LYP parametrization. The intensity changes of the bands when going from the free moieties to the complex are also generally …
Quantum dynamics of 16O + 36O2 and 18O + 32O2 exchange reactions
2015
We present quantum dynamical investigations of (16)O + (36)O2 and (18)O + (32)O2 exchange reactions using a time-independent quantum mechanical method and an accurate global potential energy surface of ozone [Dawes et al., J. Chem. Phys. 135, 081102 (2011)]. Initial state-selected integral cross sections, rate constants, and Boltzmann averaged thermal rate constants are obtained and compared with earlier experimental and theoretical results. The computed thermal rate constants for the oxygen exchange reactions exhibit a negative temperature dependence, as found experimentally. They are in better agreement with the experiments than the previous studies on the same reactions.
High-resolution photoacoustic Raman spectroscopy of gases
1992
A high-resolution photoacoustic Raman spectroscopy experiment is described. The resolution achieved by using two single-mode pulsed lasers is about 0.0054 cm −1 (full width at half maximum intensity). The experiment was tested first on the v 1 /2v 2 bands of CO 2 and gave an increase of at least about one order of magnitude in the signal-to-noise ratio with respect to stimulated Raman spectroscopy at low pressure (ca. 10 Torr ≃ 1.3 kPa). The sensitivity is also demonstrated by the study of the weak hot band v 1 +v 2 −v 2 of CO 2 . In both cases, the experimental line shape is well reproduced by taking into account Doppler and collisional effects. A comparison with CARS spectra was also made
Stability of melt flow due to a traveling magnetic field in a closed ampoule
2004
The linear three-dimensional instability of the flow due to a low frequency traveling magnetic field in a regular cylinder is studied numerically for height-to-diameter ratios in the range [0.5:2.5]. The first instability has the form of an azimuthal wave with wave numbers between 1 and 6 depending on the aspect ratio. It is shown that the flow is stable if the Reynolds number is below 290. Even stronger stationary flows may be obtained in a flattened cylinder.
Translational and rotational molecular motion in supercooled liquids studied by NMR and forced Rayleigh scattering
1994
It has been shown that translational diffusion coefficients, Dt, in the supercooled van der Waals liquids, orthoterphenyl, phenolphthaleindimethylether, and salol, have a weaker temperature dependence than the shear viscosity, η, at T ≲ 1.2Tg and can be described by Dt ∼ η−χ with χ < 1 whereas Dr ∼ η−1 applies for the mean rotational diffusion coefficients, Dr, down to the glass transition temperature, Tg. This apparent decoupling of translational and rotational motion has been discussed in relation with possible anomalous short time diffusion, spatial heterogeneity, and cooperative molecular motions close to Tg.
State-to-state vibrational and rotational energy transfer in CO2 gas from time-resolved raman-infrared double resonance experiments
1998
A time-resolved Raman–infrared double resonance technique was used to study collisional relaxation rates of vibrational and rotational energy levels in CO2 gas at 295 K. A pulsed Raman excitation populated a selected rovibrational initial state. Measurements of the rates of transfer from the pumped initial state into specific final states were carried out using time-resolved laser absorption spectroscopy. First, the transfer rates were determined for the five lower vibrational energy levels. In particular, it was confirmed that the rate of transfer between the two Fermi levels (1000) and (0200) is very small [(5.3±0.2)×104 Torr-1 s-1]. The rotational structure inside the (0200) vibrational …
MOCVD growth of CdTe on glass: analysis of in situ post-growth annealing
2004
Abstract In this paper, we analyse the growth by MOCVD of CdTe on glass substrates using in situ post-growth annealing. First, in order to perform a systematic study, polycrystalline layers of CdTe were deposited by MOCVD on glass substrates. The structure and morphology of the layers was investigated as a function of different growth parameters, temperature, VI/II precursor molar ratio and substrate position on the susceptor. An activation energy of Ek=20.7 kcal/mol was obtained from the experimental data. In order to better understand the process and the effects of different growth parameters, a numerical model that simulated the gas flow in the reactor, was developed. Secondly we analyse…