XANES

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

Investigating the Local Structure of Lanthanoid Hafnates Ln2Hf2O7 via Diffraction and Spectroscopy

Abstract: The lanthanoid hafnates Ln2Hf2O7 (Ln = La, Pr, Nd, Sm–Tm) were studied using a combination of synchrotron X-ray and neutron powder diffraction together with X-ray absorption and Raman spectroscopy. Spectroscopic methods revealed a gradual increase in disorder from the ideal pyrochlore structure to the defect fluorite structure as the size of the Ln cation increases. The line shape of the Hf L3-edge X-ray absorption near edge spectra which is sensitive to the local coordination environment changed with increasing disorder. The general line shape of the O K-edge XANES and Raman spectra also indicated an increase in disorder across the Ln2Hf2O7 series. Differences in the diffraction and spectroscopy analysis reflect the greater sensitivity of the spectroscopy techniques to local ordering.

Influence of N-doping on the structure and electronic properties of titania nanoparticle photocatalysts.

Abstract: N-containing TiO(2)-based nanostructured materials (average particle size approximately 10 nm) with an anatase-type structure were investigated using oxygen (O) K-edge and titanium (Ti) K- and L-edge X-ray absorption near-edge spectroscopy (XANES). The Ti K pre-edge features indicate that samples predominantly contain ([6])Ti with some ([5])Ti, and there is no evidence for ([4])Ti. We observed that those samples with a larger fraction of Ti in a fivefold coordination, that is, with a significant number of oxygen vacancies, also present a modified Ti environment at the medium-range scale. The presence of these defects drastically modifies the electronic structure of the conduction band, as evidenced by the O K XANES spectra, but does not result in the presence of reduced Ti(3+) states. We discuss the influence of N-doping on titania nanoparticles and their structure, electronics and photocatalytic activity.

X-ray K-edge absorption spectra of Fe minerals and model compounds: II. EXAFS

Abstract: K-edge extended X-ray absorption fine structure (EXAFS) spectra of Fe in varying environments in a suite of well-characterized silicate and oxide minerals were collected using synchrotron radiation and analyzed using single scattering approximation theory to yield nearest neighbor Fe-O distances and coordination numbers. The partial inverse character of synthetic hercynite spinal was verified in this way. Comparison of the results from all samples with structural data from X-ray diffraction crystal structure refinements indicates that EXAFS-derived first neighbor distances are generally accurate to ±0.02 A using only theoretically generated phase information, and may be improved over this if similar model compounds are used to determine EXAFS phase functions. Coordination numbers are accurate to ±20 percent and can be similarly improved using model compound EXAFS amplitude information. However, in particular cases the EXAFS-derived distances may be shortened, and the coordination number reduced, by the effects of static and thermal disorder or by partial overlap of the longer Fe-O first neighbor distances with second neighbor distances in the EXAFS structure function. In the former case the total information available in the EXAFS is limited by the disorder, while in the latter case more accurate results can in principle be obtained by multiple neighbor EXAFS analysis. The EXAFS and XANES spectra of Fe in Nain, Labrador osumulite and Lakeview, Oregon plagioclase are also analyzed as an example of the application of X-ray absorption spectroscopy to metal ion site occupation determination in minerals.

XANES studies of the reduction behavior of (Ce1-yZry)O2 and Rh/(Ce1-yZry)O2

Abstract: Using X-ray absorption near-edge spectroscopy (XANES) at the Ce LIII edge, we have measured the extent of reduction of Rh-loaded and Rh-free, mixed Ce-Zr oxides under hydrogen as a function of temperature. The high surface area, mixed oxides were synthesized by sol-gel techniques and hypercritical drying. Using a simple spectrum subtraction method, the degree of reduction has been measured and compared with previous results for CeO2 and (Ce0.5Zr0.5)O2. Addition of Zr lowers the temperature of reduction and increases the extent of Ce reduction. Rh catalyzes the reduction process at low temperatures but does not substantially affect the extent of reduction achieved at high temperature. A synergism between Rh and Zr is found which leads to very high reducibility in the range of 400–600 K.

Determination of Local Atomic Arrangements at Surfaces from Near-Edge X-Ray-Absorption Fine-Structure Studies: O on Ni(100)

Abstract: Near-edge x-ray-absorption fine-structure (NEXAFS) spectra for oxygen adsorption on Ni(100) are found to exhibit pronounced variations with oxygen exposure and x-ray incidence angle. The measured spectra are compared to calculations of the NEXAFS with use of a multiple-scattering formalism. The theory shows considerable sensitivity to changes in the O-Ni coordination and x-ray incidence angle. By comparison of experimental and theoretical spectra NEXAFS is shown to be a new technique for determining the local structure of adsorbates on surfaces.