XANES

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

Near-edge X-ray absorption spectra for metallic Cu and Mn

Abstract: The measurement of X-ray absorption fine structure of metals— both in the extended region (EXAFS) as well as in the near edge region (XANES)—has been widely discussed (see refs 1–6 for Cu and refs 7–9 for Mn). The recent availability of intense X-ray fluxes from storage rings has usually been exploited for EXAFS leaving the XANES often with poorer resolution than earlier work performed on conventional sources (for example, compare the near edge structure for copper in ref. 1 with refs 3 or 6). In addition, whilst the theory and analysis of EXAFS is relatively well-established2,10, a theory for the strong scattering regime near to the absorption edge has only recently been developed11. We report here the first high resolution XANES spectra for Cu and Mn which were performed at the SRS storage ring at Daresbury. Although both metals have close-packed structures consisting of atoms of similar size their local atomic structure is different in detail. Significant differences are found in their respective XANES reflecting the senstivity of this region of the X-ray absorption fine structure to the local atomic structure. Spectra for the two metals have been analysed using the new multiple scattering formalism. This is a real space calculation and unlike a conventional band structure approach it does not require structural periodicity but works from the local arrangement of atoms.

Multiple-Scattering EXAFS Analysis of Tetraalkylammonium Manganese Oxide Colloids

Abstract: X-ray absorption spectroscopy at the Mn K edge was employed to elucidate the structure of colloidal tetraalkylammonium (TAA) manganese oxides in sols and gels obtained by different preparation and heat treatment procedures. Two series of colloidal TAA MnOx prepared with tetrapropylammonium (TPA) and tetraethylammonium (TEA) cations were studied. Several manganese oxides, birnessite, and feitknechtite were also measured and served as model compounds for structural refinements. Near edge structure (XANES) analysis revealed different average valences of the colloidal systems. As synthesized and heat-treated, TAA colloids exhibited an average valence of 3.6−3.7, whereas gelled TAA colloids showed a lower average valence of ∼3.5. Extended absorption fine structure (EXAFS) analysis was carried out to distances of ∼6.0 A around the central Mn atom using theoretical backscattering phases and amplitudes calculated from the ab initio FEFF code. All multiple-scattering (MS) paths with a weight of 2% and more with re...

Experimental and theoretical studies on the structure of N-doped carbon nanotubes: Possibility of intercalated molecular N2

Abstract: The concentration distribution and electronic structure of N atoms doped in multiwalled banboo-like carbon nanotubes (CNTs) are examined by photon energy-dependent x-ray photoelectron spectroscopy and x-ray absorption near edge structure. The inner part of the nanotube wall has a higher N concentration and contains molecular N2 presumably intercalated between the graphite layers. These results are supported by the self-consistent charge-density-functional-based tight-binding calculation of double-walled CNTs, showing that the intercalation of N2 is energetically possible and the graphite-like N structure conformer becomes more stable when the inner wall is more heavily doped.

Synthesis and electrochemical performance of graphene-like WS2.

Abstract: Graphene-like and platelike WS2 were obtained by solid-state reactions. High-resolution (HR) TEM, BET, and Raman scattering studies show that the graphene-like WS2 is a few-layer-structured material. It exhibits better electrochemical performances than the platelike WS2. Structural characterization indicates that metallic W and Li2S are the end products of discharge (0.01 V versus Li(+)/Li), whereas metallic W and S are the recharge (3.00 V) products. In addition, X-ray absorption near-edge structure (XANES) characterization shows that the d electrons of W deviate towards the Li (or S) atom during the discharge/charge process, thus forming a weak bond between W and Li2S (or S).

Does local disorder occur in the pyrochlore zirconates

Abstract: The zirconates Ln2Zr2O7 (Ln = lanthanoid) have been studied using a combination of Zr L-edge X-ray absorption near edge structure (XANES) and synchrotron X-ray and neutron powder diffraction methods. These studies demonstrate that as the size of the lanthanoid cation decreases, the local structure evolves smoothly from the ideal pyrochlore toward the defect fluorite rather than undergoing an abrupt transformation. The Zr L-edge spectrum is found to be extremely sensitive to changes in the local coordination environment and demonstrates an increase in local disorder across the pyrochlore oxides. The sensitivity of the XANES measurements enables us to identify the progressive nature of the transition that could not be detected using bulk diffraction techniques.