XANES

About: XANES is a research topic. Over the lifetime, 7737 publications have been published within this topic receiving 188032 citations.

Synergistic Active Sites on SiO2−Al2O3−TiO2 Photocatalysts for Direct Methane Coupling

Abstract: The SiO2−Al2O3−TiO2 ternary oxide system exhibited high photocatalytic activity in the photoinduced direct methane coupling at room temperature to produce hydrogen and hydrocarbons such as ethane. The best SiO2−Al2O3−TiO2 sample containing 10 mol % of Al and 0.5 mol % of Ti marked about 20 times higher photocatalytic activity than the SiO2−Al2O3 system reported previously. Al K-edge and Ti K-edge X-ray absorption near-edge structure (XANES) of the active SiO2−Al2O3−TiO2 samples indicated that both Al and Ti oxide species have a tetrahedral local structure in the active ternary samples. In the diffuse reflectance UV−vis spectra, the active samples showed additional absorption at 220−300 nm centered at 245 nm, which would be due to the interaction between the Al and Ti oxide species. The effective excitation wavelength of this photocatalyst for the photoinduced direct methane coupling was in good agreement with this additional photoabsorption. These results suggest that the pair sites consisting of the disp...

Structural studies of a ZrO2-CeO2 doped system

Abstract: The local structure around Zr, Ce and dopant atoms (Fe and Ni) in the ZrO2–CeO2 system investigated by X-ray absorption spectroscopy (XAS) is reported to better understand the tetragonal phase stabilization process of zirconia. The first coordination shell around Zr atoms is not sensitive to the introduction of dopants or to an increase in the ceria content (from 12 to 20 mol%). Ce ions maintain the eight-fold coordination as in CeO2, but with an altered bond distance. The formation of vacancies resulting from reduction of Ce atoms can be discarded, because XANES spectra clearly show that Ce ions are preferentially in a tetravalent state. XANES and EXAFS experiments at the Fe K-edge evidence that the local order around Fe is quite different from that of the Fe2O3 oxide. On the one hand, ab initio EXAFS calculations show that iron atoms form a solid solution with tetragonal ZrO2. The EXAFS simulation of the first coordination shell around iron evidences that the substitution of zirconium atoms by iron ones generates oxygen vacancies into the tetragonal network. This is a driven force for the tetragonal phase stabilization process. For Ni doped samples, EXAFS results show that Ni–O mean bond length is similar to the distance found in the oxide material, i.e., NiO compound. Besides this result, no evidence of similar solid solution formation for Ni-doped systems has emerged from the EXAFS analysis.

Tribofilms generated from ZDDP and DDP on steel surfaces:Part 2, chemistry

Abstract: The chemical constitution of tribofilms, generated from zinc dialkyldithiophosphate (ZDDP) and ashless dialkyldithiophosphate (DDP), has been examined by X-ray Absorption Near Edge Structure (XANES) spectroscopy. The identification of spectral features and interpretation of the results for P, O, Fe, and S species are given, allowing an overall mechanism to be deduced. The role of Fe in these films was investigated in some detail using P L-edge, O K-edge and Fe L-edge XANES spectra. From the P L-edge XANES spectra, the DDP films are uniformly very short chain iron polyphosphates. In contrast, the ZDDP films are formed initially as short chain polyphosphates; but after more rubbing, a bilayer phosphate film is formed with long chain Zn polyphosphates on the surface and shorter chain in the bulk of the film. The O K-edge XANES spectra show that there is, as expected, more Fe in the DDP phosphate films than in the ZDDP phosphate films. The S K-edge spectra of ZDDP films show the presence not only of ZnS as previously observed, but also the presence of FeS for the first time in the early stages of film formation. The predominant S species in the DDP films is FeS.

Nature of Ag Species on Ag/γ-Al2O3: A Combined Experimental and Theoretical Study

Abstract: The nature of silver species on Ag/Al2O3 catalysts with different silver loadings was studied by photoelectron spectroscopy (XPS) and X-ray absorption near-edge spectroscopy (XANES) and extended X-ray absorption fine structure spectroscopy (EXAFS) combined with theoretical calculation (DFT). On the basis of selective catalytic reduction of NOx by ethanol experiments, it was found that the optimum silver content varies from 1 wt % to 2 wt %. The supported silver species are predominated by +1 oxidation state ions attached to surface oxygen atoms (Ag–O) under low silver loading of 2 wt %, which play a crucial role during the HC-SCR process. An Ag–Ag shell emerged clearly in analysis of EXAFS data when silver loading was increased to 2 wt %, which was beneficial for low-temperature activity. The theoretical models for Agnδ+ species (1 ≤ n ≤ 4, both ions and oxidized silver clusters) on alumina were consistent with the coordination structure analysis by EXAFS. The predominant silver ions are most likely stabi...

Systematic Oxidation of Polystyrene by Ultraviolet-Ozone, Characterized by Near-Edge X-ray Absorption Fine Structure and Contact Angle

Abstract: The process of implanting oxygen in polystyrene (PS) via exposure to ultraviolet-ozone (UV-O) was systematically investigated using the characterization technique of near-edge X-ray absorption fine structure (NEXAFS). Samples of PS exposed to UV-O for 10-300 s and washed with isopropanol were analyzed using the carbon and oxygen K-edge NEXAFS partial electron yields, using various retarding bias voltages to depth-profile the oxygen penetration into the surface. Evaluation of reference polymers provided a scale to quantify the oxygen concentration implanted by UV-O treatment. We find that ozone initially reacts with the double bonds on the phenyl rings, forming carbonyl groups, but within 1 min of exposure, the ratio of double to single oxygen bonds stabilizes at a lower value. Oxygen penetrates the film with relative ease, creating a fairly uniform distribution of oxygen within at least the first 4 nm (the effective depth probed by NEXAFS here). Before oxygen accumulates in large concentrations, however, it preferentially degrades the uppermost layer of the film by removing oxygenated low-molecular-weight oligomers. The failure to accumulate high concentrations of oxygen is seen in the nearly constant carbon edge jump, the low concentration of oxygen even at 5 min exposure (58% of that in poly(4-acetoxystyrene), the polymer with the most similarities to UV-O-treated PS), and the relatively high contact angles. At 5 min exposure the oxygen concentration contains ca. 7 atomic % oxygen. The oxygen species that are implanted consist predominantly of single O-C bonds and double O=C bonds but also include a small fraction of O-H. UV-O treatment leads a plateau after 2 min exposure in the water contact angle hysteresis, at a value of 67 +/- 2 degrees , due primarily to chemical heterogeneity. Annealing above T(g) allows oxygenated species to move short distances away from the surface but not diffuse further than 1-2 nm.