Search results for "Photoelectron spectroscopy"
showing 10 items of 439 documents
Electronic structure of tetraphenyldithiapyranylidene : A valence effective Hamiltonian theoretical investigation
1992
We present a theoretical investigation of the electronic structure of tetraphenyldithiapyranylidene (DIPSΦ4) using the nonempirical valence effective Hamiltonian (VEH) method. Molecular geometries are optimized at the semiempirical PM3 level which predicts an alternating nonaromatic structure for the dithiapyranylidene (DIPS) framework. The VEH one‐electron energy level distribution calculated for DIPSΦ4 is presented as a theoretical XPS simulation and is analyzed by comparison to the electronic structure of its molecular components DIPS and benzene. The theoretical VEH spectrum is found to be fully consistent with the experimental solid‐state x‐ray photoelectron spectroscopy (XPS) spectrum…
Influence of SMSI effect on the catalytic activity of a Pt(1%)/ Ce0.6Zr0.4O2 catalyst: SAXS, XRD, XPS and TPR investigations
2004
Abstract The steady-state activity of NO reduction by C3H6, in lean conditions, was studied on a Pt(1%)/Ce0.6Zr0.4O2 catalyst, in a plug-flow reactor, in the temperature range 100–500 °C. The influence of reductive pre-treatments on the catalytic performance at low temperature (250 °C) was investigated. Enhancement of the activity was found for the catalyst pre-treated in hydrogen at 350 °C as compared to the sample pre-treated in H2 at 800 and 1050 °C. Moreover, transient reactivity tests of NO reduction by hydrogen were also carried out. As previously observed, the sample reduced at 350 °C was the most active catalyst. In both types of reactions the temperature and the nature of pre-treat…
XPS study of leached glass surfaces
1990
Abstract By use of a special deconvolution algorithm, it was possible to decompose the XPS O 1s signal into several components reflecting different oxygen bonds. The influence of exposure in vacuo, environmental atmosphere, distilled water, and in a polish solution as corrosive media on the surface of different glasses has been studied. The O 1s signals of fused silica, Na 2 O· n SiO 2 glasses, a BaO·SiO 2 and a BaOB 2 O 3 SiO 2 glass (Schott SK 16) were analyzed. On the glass surfaces, leached layers were formed and analyzed qualitatively and semiquantitatively by XPS and optical and infrared methods. As a reference, virgin surfaces of samples broken in ultrahigh vacuum have been used. T…
Probing the chemical interaction between iridium nanoparticles and ionic liquid by XPS analysis
2009
Abstract In situ X-ray photoelectron spectroscopy analysis of Ir(0) nanoparticles (1.6 ± 0.3 nm) dispersed in imidazolium ionic liquid (EMI.EtSO4) shows evidences of the effective interaction between the metallic clusters and the surrounding liquid. By monitoring the C 1s signal of the ionic liquid one observes a change of the binding energy in one of its components (C2) when in the presence of Ir nanoparticles. This result was corroborated by isotope labeling experiments.
A novel oxovanadate structural type – Synthesis, single crystal structure and magnetic properties of a mixed-valence polyoxovanadate formed by {V17O4…
2007
Abstract A novel polyoxovanadate structural type, with an average nuclearity of V16, formed by a mixture of two different polyoxovananadates: {V15O36(Cl)} and{V17O40(Cl)} has been synthesized and characterized. The title compound, formulated as [Ni(phen)3]2{[V15O36(Cl)]0.5[V17O40(Cl)]0.5} · H2O (1) (phen = 1,10′-phenanthroline), presents two different polyoxovanadate architectures: {V15O36(Cl)} and {V17O40(Cl)}, with the last one representing a new framework type in polyoxovanadate chemistry. Here, we present the synthesis of this novel polyoxovanadate under hydrothermal conditions and its characterization by IR and XPS spectroscopies, elemental and thermogravimetric analysis, redox titrati…
Role of Deprotonation and Cu Adatom Migration in Determining the Reaction Pathways of Oxalic Acid Adsorption on Cu(111)
2011
Scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and first principles theoretical calculations have been used to gain insight into the fundamental processes involved in the adsorption and self-assembly of oxalic acid on Cu(111). The experimental data demonstrate that several reaction pathways are involved in the chemisorption of oxalic acid on Cu(111), one of which leads to deprotonation of the acid into oxalate molecules that form ordered structures on the surface. Theoretical calculations indicate that the adsorption of oxalate molecules is not stable on the surface unless copper adatoms are taken into consideration. Coordination with copper adatoms prevents ox…
Pd/Co3O4 catalyst for CH4 emissions abatement: study of SO2 poisoning effect
2007
A catalyst with 0.7 wt% Pd load supported over Co3O4 oxide was investigated in the methane oxidation by operating under CH4/O2 stoichiometric conditions. The effect of the noble metal addition on the activity of bare Co3O4 was evaluated. Samples were characterized by BET, XRD, TPR and XPS analyses. The SO2 poisoning of Pd catalyst and Co3O4 was studied by performing CH4 oxidation tests under stoichiometric conditions in SO2 (1 ppm or 10 ppm). Experiments evidenced that in our conditions the low amount of SO2 doesn’t influence the Pd behaviour, whereas in presence of 10 ppm of SO2 some deactivation occurs that becomes more evident above 450 °C at which the catalyst doesn’t reach 100% of meth…
Size and Surface Chemistry Tuning of Silicon Carbide Nanoparticles.
2017
International audience; Chemical transformations on the surface of commercially available 3C-SiC nanoparticles were studied by means of FTIR, XPS, and temperature-programmed desorption mass spectrometry methods. Thermal oxidation of SiC NPs resulted in the formation of a hydroxylated SiO2 surface layer with C3Si–H and CHx groups over the SiO2/SiC interface. Controllable oxidation followed by oxide dissolution in HF or KOH solution allowed the SiC NPs size tuning from 17 to 9 nm. Oxide-free SiC surfaces, terminated by hydroxyls and C3Si–H groups, can be efficiently functionalized by alkenes under thermal or photochemical initiation. Treatment of SiC NPs by HF/HNO3 mixture produces a carbon-e…
Synergy between tungsten and palladium supported on titania for the catalytic total oxidation of propane
2012
Titania-supported palladium catalysts modified by tungsten have been tested for the total oxidation of propane. The addition of tungsten significantly enhanced the catalytic activity. Highly active catalysts were prepared containing a low loading of 0.5 wt.% palladium, and activity increased as the tungsten loading was increased up to 6 wt.%. Catalysts were characterised using a variety of techniques, including powder X-ray diffraction, laser Raman spectroscopy, X-ray photoelectron spectroscopy, temperature-programmed reduction and aberration-corrected scanning transmission electron microscopy. Highly dispersed palladium nanoparticles were present on the catalyst with and without the additi…
Unusual stoichiometry control in the atomic layer deposition of manganese borate films from manganese bis(tris(pyrazolyl)borate) and ozone
2016
The atomic layer deposition (ALD) of films with the approximate compositions Mn3(BO3)2 and CoB2O4 is described using MnTp2 or CoTp2 [Tp ¼ tris(pyrazolyl)borate] with ozone. The solid state decomposition temperatures of MnTp2 and CoTp2 are 370 and 340 C, respectively. Preparative-scale sublimations of MnTp2 and CoTp2 at 210 C/0.05 Torr afforded >99% recoveries with <0.1% nonvolatile residues. Self-limited ALD growth was demonstrated at 325 C for MnTp2 or CoTp2 with ozone as the coreactant. The growth rate for the manganese borate process was 0.19 A˚ /cycle within the ALD window of 300–350 C. The growth rate for the cobalt borate process was 0.39–0.42 A˚ /cycle at 325 C. X-ray diffraction of …