Search results for "XAFS"

Morphology and local organization of water-containing (1R,2S)-Dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide reverse micelles disp…

2014

The structure of (1R,2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB) reverse micelles, at various water-to-surfactant molar ratio (R-w, R-w = [water]/[DMEB]) and DMEB concentrations, has been investigated by small angle X-ray scattering (SAXS) and extended X-ray absorption fine structure spectroscopy (EXAFS). SAXS data of dry reverse micelles are consistent with a model of spherical hydrophilic core surrounded by DMEB alkyl chains whose polydispersity decreases significantly with surfactant concentration. By adding water, a sphere to cylinder transition occurs leading to a one-dimensional growth of reverse micellar cores with R-w and surfactant concentration. Th…

Plutonium(III) complexation by humic substances studied by X-ray absorption fine structure spectroscopy

2006

Abstract We determined structural parameters for the near-neighbor surrounding of plutonium(III) in complexes with humic and fulvic acids at pH 1 and for the purpose of comparison also for the plutonium(III) aquo ion by means of X-ray absorption fine structure (XAFS) spectroscopy. It could be shown that in the complexes with humic substances as well as in the plutonium(III) aquo ion sample the trivalent oxidation state of plutonium was stable within the time of the experiment. In the humate and fulvate complexes, the plutonium(III) is surrounded by about eight oxygen atoms with an average Pu–O distance of 2.48 ± 0.02 A. The structural parameters determined for plutonium(III)–humate and –ful…

Structural characterization of U(VI) surface complexes on kaolinite in the presence of humic acid using EXAFS spectroscopy.

2007

To determine the influence of humic acid (HA), pH, and presence of atmospheric CO2 on the sorption of U(VI) onto kaolinite, the structure of the surface complexes was studied by U L III-edge extended X-ray absorption fine structure (EXAFS) spectroscopy. The best fits to the experimental EXAFS data were obtained by including two uranium coordination shells with two axial (O ax) and five equatorial (O eq) oxygen atoms at 1.77+/-0.02 and 2.34+/-0.02 A, respectively, and two coordination shells with one Al/Si atom each at 3.1 and 3.3 A. As in the case of the binary system U(VI)-kaolinite, uranium forms inner-sphere surface complexes by edge sharing with aluminum octahedra and/or silicon tetrahe…

(2010). Microstructure and magnetic properties of colloidal cobalt nano-clusters.

2010

The magnetic response of nanometer sized Co nanoparticles (NP) prepared using reverse micelle solutions are presented. The use of complementary structural and morphological probes (like transmission electron microscopy, high resolution electron microscopy, X-ray absorption spectroscopy) allowed to relate the magnetic properties to the size, morphology, composition and atomic structure of the nanoparticles. All data agree on the presence of a core–shell structure of NPs made of a metallic Co core surrounded by a thin Co-oxide layer. The core–shell microstructure of NPs affects its magnetic response mainly raising the anisotropy constant.

Crossing the boundary between fcc and hcp: the structure of nanosized cobalt is unraveled by a model of size distribution, shape and stacking faults …

2014

The properties of nanostructured cobalt in the fields of magnetic, catalytic and biomaterials depend critically on Co close-packing. In this paper we report a structural analysis of nanosized cobalt based on the whole XRD pattern simulation allowed by the Debye equation. The underlying structural model involves statistical sequences of cobalt layers and produces simulated XRD powder patterns bearing the concurrent signatures of hexagonal and cubic close packing. Size distribution, shape and distance distribution between pairs of atoms are also modelled. The simulation algorithm allows straightforward fitting to experimental data and hence the assessment of the model parameters. Analysis of …

Dopant-matrix interaction in solid oxide electrolytes and electrodes

2013

Materials for solid oxide fuel cells (SOFC) are extensively investigated aiming at achieving better performances and device durability in view of the hopefully next implementation of hydrogen technology for the production of energy. This contribution deals with the structural aspects of the interaction of dopants with the solid matrix, either for electrodes or electrolytes. The report concerns materials that are likely fit for implementation, such as ceria-based electrolytes and mixed-oxide electrodes. However, in view of the importance of achieving a deeper insight in the mechanism of solid-state O2- conduction, results about Bi2O3 compounds are also reported. Finally, the host matrix-dopa…

Dopants and defects in proton-conducting perovskites

2008

Many doped perovskites show high proton conductivity at intermediate to high temperatures (500- 900 °C), which has opened possibilities for many prospected applications in energy conversion (fuel cells), and electrochemical devices. In a doped perovskite, e.g. BaCe1-xYxO3-y, oxygen vacancies are created by charge compensation, and can eventually react with air moisture to form structural protonic defects. The sluggish nature of the proton, which is practically invisible to most structural analyses, and poses enormous problems to quantum chemistry, has surely contributed to slow down the progress in the understanding of these materials: in fact, the conduction dynamics and its interplay with…

Ionic conductivity of nanocrystalline heavily acceptor doped ceria: The role of the local atomic order

2014

Acceptor doped ceria (CeO2) is a material that over the years has attracted much interest for applications in solid oxide fuel cells and oxygen membranes. This study aims at systematically investigating how the local atomic order and the dopant distribution affect the ionic transport of nanocrystalline CeO2 ceramics doped with samarium, erbium and ytterbium, with concentrations ranging between 10 and 30 at.%. For this purpose, a.c. electrochemical impedance spectroscopy together with Raman and fluorescence spectroscopy as well as XRD and EXAFS analysis have been carried out. In order to have detailed information on the bulk properties of these compositions also microcrystalline samples have…

Dopants and defects: the local structure and dynamics of proton-conducting perovskites

2009

Sorption of uranium(VI) onto ferric oxides in sulfate-rich acid waters.

2003

The mechanisms of the uranium(VI) sorption on schwertmannite and goethite in acid sulfate-rich solutions were studied by Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. The samples were prepared under N2 atmosphere and initial uranium(VI) concentrations of 1 x 10(-5) (pH 6.5) to 5 x 10(-5) M (pH 4.2). The ionic strength was adjusted using 0.01 M Na2SO4 or 0.01 M NaClO4, respectively. The EXAFS structural parameters for uranium(VI) sorbed on goethite in sulfate-rich, acid and near-neutral solutions indicate that uranium(VI) forms an inner-sphere, mononuclear, bidentate surface complex. This complex is characterized by a uranium-ferric-iron distance of approximately 3.45 A. Ura…