National Library of Energy BETA

Sample records for near-edge x-ray absorption

  1. Near edge X-ray absorption mass spectrometry on coronene

    SciTech Connect (OSTI)

    Reitsma, G.; Deuzeman, M. J.; Hoekstra, R.; Schlathölter, T.; Boschman, L.; Hoekstra, S.

    2015-01-14

    We have investigated the photoionization and photodissociation of free coronene cations C{sub 24}H{sub 12}{sup +} upon soft X-ray photoabsorption in the carbon K-edge region by means of a time-of-flight mass spectrometry approach. Core excitation into an unoccupied molecular orbital (below threshold) and core ionization into the continuum both leave a C 1s vacancy, that is subsequently filled in an Auger-type process. The resulting coronene dications and trications are internally excited and cool down predominantly by means of hydrogen emission. Density functional theory was employed to determine the dissociation energies for subsequent neutral hydrogen loss. A statistical cascade model incorporating these dissociation energies agrees well with the experimentally observed dehydrogenation. For double ionization, i.e., formation of intermediate C{sub 24}H{sub 12}{sup 3+⋆}trications, the experimental data hint at loss of H{sup +} ions. This asymmetric fission channel is associated with hot intermediates, whereas colder intermediates predominantly decay via neutral H loss.

  2. A laboratory-based hard x-ray monochromator for high-resolution x-ray emission spectroscopy and x-ray absorption near edge structure measurements

    SciTech Connect (OSTI)

    Seidler, G. T. Mortensen, D. R.; Remesnik, A. J.; Pacold, J. I.; Ball, N. A.; Barry, N.; Styczinski, M.; Hoidn, O. R.

    2014-11-15

    We report the development of a laboratory-based Rowland-circle monochromator that incorporates a low power x-ray (bremsstrahlung) tube source, a spherically bent crystal analyzer, and an energy-resolving solid-state detector. This relatively inexpensive, introductory level instrument achieves 1-eV energy resolution for photon energies of ∼5 keV to ∼10 keV while also demonstrating a net efficiency previously seen only in laboratory monochromators having much coarser energy resolution. Despite the use of only a compact, air-cooled 10 W x-ray tube, we find count rates for nonresonant x-ray emission spectroscopy comparable to those achieved at monochromatized spectroscopy beamlines at synchrotron light sources. For x-ray absorption near edge structure, the monochromatized flux is small (due to the use of a low-powered x-ray generator) but still useful for routine transmission-mode studies of concentrated samples. These results indicate that upgrading to a standard commercial high-power line-focused x-ray tube or rotating anode x-ray generator would result in monochromatized fluxes of order 10{sup 6}–10{sup 7} photons/s with no loss in energy resolution. This work establishes core technical capabilities for a rejuvenation of laboratory-based hard x-ray spectroscopies that could have special relevance for contemporary research on catalytic or electrical energy storage systems using transition-metal, lanthanide, or noble-metal active species.

  3. Near-Edge X-Ray Absorption Fine Structure Spectroscopy of Diamondoid Thiol Monolayers on Gold

    SciTech Connect (OSTI)

    Willey, T.M.; Fabbri, J.D.; Lee, J.R.I.; Schreiner, P.R.; Fokin, A.A.; Tkachenko, B.A.; Fokina, N.A.; Dahl, J.E.P.; Carlson, R.M.K.; Vance, A.L.; Yang, W.; Terminello, L.J.; Buuren, T.van; Melosh, N.A.

    2009-05-26

    Diamondoids, hydrocarbon molecules with cubic-diamond-cage structures, have unique properties with potential value for nanotechnology. The availability and ability to selectively functionalize this special class of nanodiamond materials opens new possibilities for surface modification, for high-efficiency field emitters in molecular electronics, as seed crystals for diamond growth, or as robust mechanical coatings. The properties of self-assembled monolayers (SAMs) of diamondoids are thus of fundamental interest for a variety of emerging applications. This paper presents the effects of thiol substitution position and polymantane order on diamondoid SAMs on gold using near-edge X-ray absorption fine structure spectroscopy (NEXAFS) and X-ray photoelectron spectroscopy (XPS). A framework to determine both molecular tilt and twist through NEXAFS is presented and reveals highly ordered diamondoid SAMs, with the molecular orientation controlled by the thiol location. C 1s and S 2p binding energies are lower in adamantane thiol than alkane thiols on gold by 0.67 {+-} 0.05 and 0.16 {+-} 0.04 eV, respectively. These binding energies vary with diamondoid monolayer structure and thiol substitution position, consistent with different degrees of steric strain and electronic interaction with the substrate. This work demonstrates control over the assembly, in particular the orientational and electronic structure, providing a flexible design of surface properties with this exciting new class of diamond nanoparticles.

  4. Near-Edge X-ray Absorption Fine Structure Spectroscopy of Diamondoid Thiol Monolayers on Gold

    SciTech Connect (OSTI)

    Willey, T M; Fabbri, J; Lee, J I; Schreiner, P; Fokin, A A; Tkachenko, B A; Fokina, N A; Dahl, J; Carlson, B; Vance, A L; Yang, W; Terminello, L J; van Buuren, T; Melosh, N

    2007-11-27

    Diamondoids, hydrocarbon molecules with cubic-diamond-cage structures, have unique properties with potential value for nanotechnology. The availability and ability to selectively functionalize this special class of nanodiamond materials opens new possibilities for surface-modification, for high-efficiency field emitters in molecular electronics, as seed crystals for diamond growth, or as robust mechanical coatings. The properties of self-assembled monolayers (SAMs) of diamondoids are thus of fundamental interest for a variety of emerging applications. This paper presents the effects of thiol substitution position and polymantane order on diamondoid SAMs on gold using near-edge X-ray absorption fine structure spectroscopy (NEXAFS) and X-ray photoelectron spectroscopy (XPS). A framework to determine both molecular tilt and twist through NEXAFS is presented and reveals highly ordered diamondoid SAMs, with the molecular orientation controlled by the thiol location. C 1s and S 2p binding energies are lower in adamantane thiol than alkane thiols on gold by 0.67 {+-} 0.05 eV and 0.16 {+-} 0.04 eV respectively. These binding energies vary with diamondoid monolayer structure and thiol substitution position, consistent with different amounts of steric strain and electronic interaction with the substrate. This work demonstrates control over the assembly, in particular the orientational and electronic structure, providing a flexible design of surface properties with this exciting new class of diamond clusters.

  5. 3D Imaging of Nickel Oxidation States using Full Field X-ray Absorption Near Edge Structure Nanotomography

    SciTech Connect (OSTI)

    Nelson, George; Harris, William; Izzo, John; Grew, Kyle N.

    2012-01-20

    Reduction-oxidation (redox) cycling of the nickel electrocatalyst phase in the solid oxide fuel cell (SOFC) anode can lead to performance degradation and cell failure. A greater understanding of nickel redox mechanisms at the microstructural level is vital to future SOFC development. Transmission x-ray microscopy (TXM) provides several key techniques for exploring oxidation states within SOFC electrode microstructure. Specifically, x-ray nanotomography and x-ray absorption near edge structure (XANES) spectroscopy have been applied to study samples of varying nickel (Ni) and nickel oxide (NiO) compositions. The imaged samples are treated as mock SOFC anodes containing distinct regions of the materials in question. XANES spectra presented for the individual materials provide a basis for the further processing and analysis of mixed samples. Images of composite samples obtained are segmented, and the distinct nickel and nickel oxide phases are uniquely identified using full field XANES spectroscopy. Applications to SOFC analysis are discussed.

  6. Experimental station for laser-based picosecond time-resolved x-ray absorption near-edge spectroscopy

    SciTech Connect (OSTI)

    Dorchies, F. Fedorov, N.; Lecherbourg, L.

    2015-07-15

    We present an experimental station designed for time-resolved X-ray Absorption Near-Edge Spectroscopy (XANES). It is based on ultrashort laser-plasma x-ray pulses generated from a table-top 100 mJ-class laser at 10 Hz repetition rate. A high transmission (10%–20%) x-ray beam line transport using polycapillary optics allows us to set the sample in an independent vacuum chamber, providing high flexibility over a wide spectral range from 0.5 up to 4 keV. Some XANES spectra are presented, demonstrating 1% noise level in only ∼1 mn and ∼100 cumulated laser shots. Time-resolved measurements are reported, indicating that the time resolution of the entire experimental station is 3.3 ± 0.6 ps rms.

  7. Nitrogen K-edge x-ray absorption near edge structure of pyrimidine-containing nucleotides in aqueous solution

    SciTech Connect (OSTI)

    Shimada, Hiroyuki Minami, Hirotake; Okuizumi, Naoto; Sakuma, Ichiro; Ukai, Masatoshi; Fujii, Kentaro; Yokoya, Akinari; Fukuda, Yoshihiro; Saitoh, Yuji

    2015-05-07

    X-ray absorption near edge structure (XANES) was measured at energies around the N K-edge of the pyrimidine-containing nucleotides, cytidine 5′-monophosphate (CMP), 2′-deoxythymidine 5′-monophosphate (dTMP), and uridine 5′-monophosphate (UMP), in aqueous solutions and in dried films under various pH conditions. The features of resonant excitations below the N K-edge in the XANES spectra for CMP, dTMP, and UMP changed depending on the pH of the solutions. The spectral change thus observed is systematically explained by the chemical shift of the core-levels of N atoms in the nucleobase moieties caused by structural changes due to protonation or deprotonation at different proton concentrations. This interpretation is supported by the results of theoretical calculations using density functional theory for the corresponding nucleobases in the neutral and protonated or deprotonated forms.

  8. Determining Orientational Structure of Diamondoid Thiols Attached to Silver Using Near Edge X-ray Absorption Fine Structure Spectroscopy

    SciTech Connect (OSTI)

    Willey, T M; Lee, J I; Fabbri, J D; Wang, D; Nielsen, M; Randel, J C; Schreiner, P R; Fokin, A A; Tkachenko, B A; Fokina, N A; Dahl, J P; Carlson, R K; Terminello, L J; Melosh, N A; van Buuren, T

    2008-10-07

    Near-edge x-ray absorption fine structure spectroscopy (NEXAFS) is a powerful tool for determination of molecular orientation in self-assembled monolayers and other surface-attached molecules. A general framework for using NEXAFS to simultaneously determine molecular tilt and twist of rigid molecules attached to surfaces is presented. This framework is applied to self-assembled monolayers of higher diamondoid, hydrocarbon molecules with cubic-diamond-cage structures. Diamondoid monolayers chemisorbed on metal substrates are known to exhibit interesting electronic and surface properties. This work compares molecular orientation in monolayers prepared on silver substrates using two different thiol positional isomers of [121]tetramantane, and thiols derived from two different pentamantane structural isomers, [1212]pentamantane and [1(2,3)4]pentamantane. The observed differences in monolayer structure demonstrate the utility and limitations of NEXAFS spectroscopy and the framework. The results also demonstrate the ability to control diamondoid assembly, in particular the molecular orientational structure, providing a flexible platform for the modification of surface properties with this exciting new class of nanodiamond materials.

  9. Near-edge X-ray Absorption Fine Structure Study of Disordering in Gd₂(Ti1-yZry)₂O₇ Pyrochlores

    SciTech Connect (OSTI)

    Nachimuthu, Ponnusamy; Thevuthasan, Suntharampillai; Adams, Evan M.; Weber, William J.; Begg, Bruce D.; Mun, B S.; Shuh, David K.; Lindle, Dennis W.; Gullikson, Eric M.; Perera, Rupert C.

    2005-02-03

    Disorder in Gd₂(Ti1-yZry)₂O₇ pyrochlores, for y=0.0-1.0, is investigated by Ti 2p and O 1s near-edge x-ray absorption fine structure spectroscopy. Ti⁴⁺ ions are found to occupy octahedral sites in Gd₂Ti₂O₇ with a tetragonal distortion induced by vacant oxygen sites. As Zr substitutes for Ti, the tetragonal distortion decreases, and Zr coordination increases from 6 to 8. The migration of oxygen ions from 48f or 8b sites to vacant 8a sites compensate for the increased Zr coordination, thereby reducing the number of vacant 8a sites, which further reduces the tetragonal distortion and introduces more disorder around Ti. This is evidence for simultaneous cation disorder with anion migration.

  10. Dissolution of thin iron oxide films used as models for iron passive films studied by in situ X-ray absorption near-edge spectroscopy

    SciTech Connect (OSTI)

    Virtanen, S; Schmuki, P.; Davenport, A.J.; Vitus, C.M.

    1997-01-01

    This paper reports results from X-ray absorption near-edge spectroscopy (XANES) studies during polarization of thin sputter-deposited iron oxide films in acidic solutions. The dissolution rate of iron oxides in acidic solutions was found to be strongly increased by the presence of Fe{sup 2+} in the oxide. During anodic polarization in acidic solutions, it is found that dissolution is accelerated by chloride anions in comparison with sulfates. In HCl solutions of increasing concentration, not only does the pH decrease, but also the increasing chloride concentration accelerates dissolution. On the other hand, the dissolution rate in sulfuric acid does not depend on the sulfate (bisulfate) concentration. During anodic polarization, the dissolution rate is fairly independent of the potential, except at very high anodic potentials, and the XANES spectra reveal no changes in the average oxide valence during anodic polarization. Thus the dissolution that takes place is mostly chemical rather than electrochemical. During cathodic polarization, the dissolution rate is independent of the anion in the electrolyte. The findings are interpreted in terms of the negative surface charge of n-type oxides at potentials lower than the flatband potential, retarding anion adsorption on the surface. Hence it is suggested that the detrimental role of chloride anions on the stability of iron oxide films is due to a surface complexation effect. The findings and their relevance to the stability of natural passive films on iron surfaces are discussed.

  11. Nitrogen K-edge X-ray absorption near edge structure (XANES) spectra of purine-containing nucleotides in aqueous solution

    SciTech Connect (OSTI)

    Shimada, Hiroyuki; Fukao, Taishi; Minami, Hirotake; Ukai, Masatoshi; Fujii, Kentaro; Yokoya, Akinari; Fukuda, Yoshihiro; Saitoh, Yuji

    2014-08-07

    The N K-edge X-ray absorption near edge structure (XANES) spectra of the purine-containing nucleotide, guanosine 5{sup ′}-monophosphate (GMP), in aqueous solution are measured under various pH conditions. The spectra show characteristic peaks, which originate from resonant excitations of N 1s electrons to π* orbitals inside the guanine moiety of GMP. The relative intensities of these peaks depend on the pH values of the solution. The pH dependence is explained by the core-level shift of N atoms at specific sites caused by protonation and deprotonation. The experimental spectra are compared with theoretical spectra calculated by using density functional theory for GMP and the other purine-containing nucleotides, adenosine 5{sup ′}-monophosphate, and adenosine 5{sup ′}-triphosphate. The N K-edge XANES spectra for all of these nucleotides are classified by the numbers of N atoms with particular chemical bonding characteristics in the purine moiety.

  12. Interrogation of Surface, Skin, and Core Orientation in Thermotropic Liquid-Crystalline Copolyester Moldings by Near-Edge X-ray Absorption Fine Structure and Wide-Angle X-ray Scattering

    SciTech Connect (OSTI)

    Rendon,S.; Bubeck, R.; Thomas, L.; Burghardt, W.; Hexemer, A.; Fischer, D.

    2007-01-01

    Injection molding thermotropic liquid-crystalline polymers (TLCPs) usually results in the fabrication of molded articles that possess complex states of orientation that vary greatly as a function of thickness. 'Skin-core' morphologies are often observed in TLCP moldings. Given that both 'core' and 'skin' orientation states may often differ both in magnitude and direction, deconvolution of these complex orientation states requires a method to separately characterize molecular orientation in the surface region. A combination of two-dimensional wide-angle X-ray scattering (WAXS) in transmission and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy is used to probe the molecular orientation in injection molded plaques fabricated from a 4,4'-dihydroxy-{alpha}-methylstilbene (DH{alpha}MS)-based thermotropic liquid crystalline copolyester. Partial electron yield (PEY) mode NEXAFS is a noninvasive ex situ characterization tool with exquisite surface sensitivity that samples to a depth of 2 nm. The effects of plaque geometry and injection molding processing conditions on surface orientation in the regions on- and off- axis to the centerline of injection molded plaques are presented and discussed. Quantitative comparisons are made between orientation parameters obtained by NEXAFS and those from 2D WAXS in transmission, which are dominated by the microstructure in the skin and core regions. Some qualitative comparisons are also made with 2D WAXS results from the literature.

  13. Effects of strain relaxation in Pr0.67Sr0.33MnO3 films probed by polarization dependent X-ray absorption near edge structure

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    zhang, Bangmin; Chen, Jingsheng; Venkatesan, T.; Sun, Cheng -Jun; Heald, Steve M.; Chow, Gan Moog; Yang, Ping; Chi, Xiao; Lin, Weinan

    2016-01-28

    In this study, the Mn K edge X-ray absorption near edge structure (XANES) of Pr0.67Sr0.33MnO3 films with different thicknesses on (001) LaAlO3 substrate were measured, and the effects of strain relaxation on film properties were investigated. The films experienced in-plane compressive strain and out-of-plane tensile strain. Strain relaxation evolved with the film thickness. In the polarization dependent XANES measurements, the in-plane (parallel) and out-of-plane (perpendicular) XANES spectrocopies were anisotropic with different absorption energy Er. The resonance energy Er along two directions shifted towards each other with increasing film thickness. Based on the X-ray diffraction results, it was suggested that themore » strain relaxation weakened the difference of the local environment and probability of electronic charge transfer (between Mn 3d and O 2p orbitals) along the in-plane and out-of-plane directions, which was responsible for the change of Er. XANES is a useful tool to probe the electronic structures, of which the effects on magnetic properties with the strain relaxation was also been studied.« less

  14. SMB, X-ray Absorption Spectroscopy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Absorption Spectroscopy X-ray Absorption Spectroscopy X-ray absorption spectroscopy (XAS) is a well-established technique for simultaneous local geometric and electronic structure...

  15. Temperature dependence of the Pd [ital K]-edge extended x-ray-absorption fine structure of PdC[sub [ital x

    SciTech Connect (OSTI)

    McCaulley, J.A. (Hoechst Celanese Research Division, Robert L. Mitchell Technical Center, 86 Morris Avenue, Summit, New Jersey 07901 (United States))

    1993-03-01

    Pd [ital K]-edge extended x-ray-absorption fine-structure (EXAFS) and x-ray-absorption near-edge-structure (XANES) measurements were performed on a Pd carbide phase, PdC[sub [ital x

  16. Femtosecond X-ray Absorption Spectroscopy at a Hard X-ray Free...

    Office of Scientific and Technical Information (OSTI)

    Femtosecond X-ray Absorption Spectroscopy at a Hard X-ray Free Electron Laser: Application to Spin Crossover Dynamics Citation Details In-Document Search Title: Femtosecond X-ray...

  17. X-ray transient absorption and picosecond IR spectroscopy of...

    Office of Scientific and Technical Information (OSTI)

    X-ray transient absorption and picosecond IR spectroscopy of fulvalene(tetracarbonyl)diruthenium on photoexcitation Citation Details In-Document Search Title: X-ray transient ...

  18. Laser plasma x-ray source for ultrafast time-resolved x-ray absorption spectroscopy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Miaja-Avila, L.; O'Neil, G. C.; Uhlig, J.; Cromer, C. L.; Dowell, M. L.; Jimenez, R.; Hoover, A. S.; Silverman, K. L.; Ullom, J. N.

    2015-03-02

    We describe a laser-driven x-ray plasma source designed for ultrafast x-ray absorption spectroscopy. The source is comprised of a 1 kHz, 20 W, femtosecond pulsed infrared laser and a water target. We present the x-ray spectra as a function of laser energy and pulse duration. Additionally, we investigate the plasma temperature and photon flux as we vary the laser energy. We obtain a 75 μm FWHM x-ray spot size, containing ~106 photons/s, by focusing the produced x-rays with a polycapillary optic. Since the acquisition of x-ray absorption spectra requires the averaging of measurements from >107 laser pulses, we also presentmore » data on the source stability, including single pulse measurements of the x-ray yield and the x-ray spectral shape. In single pulse measurements, the x-ray flux has a measured standard deviation of 8%, where the laser pointing is the main cause of variability. Further, we show that the variability in x-ray spectral shape from single pulses is low, thus justifying the combining of x-rays obtained from different laser pulses into a single spectrum. Finally, we show a static x-ray absorption spectrum of a ferrioxalate solution as detected by a microcalorimeter array. Altogether, our results demonstrate that this water-jet based plasma source is a suitable candidate for laboratory-based time-resolved x-ray absorption spectroscopy experiments.« less

  19. Laser plasma x-ray source for ultrafast time-resolved x-ray absorption spectroscopy

    SciTech Connect (OSTI)

    Miaja-Avila, L.; O'Neil, G. C.; Uhlig, J.; Cromer, C. L.; Dowell, M. L.; Jimenez, R.; Hoover, A. S.; Silverman, K. L.; Ullom, J. N.

    2015-03-02

    We describe a laser-driven x-ray plasma source designed for ultrafast x-ray absorption spectroscopy. The source is comprised of a 1 kHz, 20 W, femtosecond pulsed infrared laser and a water target. We present the x-ray spectra as a function of laser energy and pulse duration. Additionally, we investigate the plasma temperature and photon flux as we vary the laser energy. We obtain a 75 μm FWHM x-ray spot size, containing ~106 photons/s, by focusing the produced x-rays with a polycapillary optic. Since the acquisition of x-ray absorption spectra requires the averaging of measurements from >107 laser pulses, we also present data on the source stability, including single pulse measurements of the x-ray yield and the x-ray spectral shape. In single pulse measurements, the x-ray flux has a measured standard deviation of 8%, where the laser pointing is the main cause of variability. Further, we show that the variability in x-ray spectral shape from single pulses is low, thus justifying the combining of x-rays obtained from different laser pulses into a single spectrum. Finally, we show a static x-ray absorption spectrum of a ferrioxalate solution as detected by a microcalorimeter array. Altogether, our results demonstrate that this water-jet based plasma source is a suitable candidate for laboratory-based time-resolved x-ray absorption spectroscopy experiments.

  20. X-ray Attenuation and Absorption Calculations.

    Energy Science and Technology Software Center (OSTI)

    1988-02-25

    This point-source, polychromatic, discrete energy X-ray transport and energy deposition code system calculates first-order spectral estimates of X-ray energy transmission through slab materials and the associated spectrum of energy absorbed by the material.

  1. X-ray absorption near-edge spectra of overdoped La 2 - x Sr x...

    Office of Scientific and Technical Information (OSTI)

    Publication Date: 2011-03-11 OSTI Identifier: 1100031 Type: Publisher's Accepted Manuscript Journal Name: Physical Review B Additional Journal Information: Journal Volume: 83; ...

  2. X-ray absorption spectroscopy study of Gd[superscript 3+]-loaded...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: X-ray absorption spectroscopy study of Gdsuperscript 3+-loaded ultra-short carbon nanotubes Citation Details In-Document Search Title: X-ray absorption ...

  3. Towards simultaneous measurements of electronic and structural properties in ultra-fast x-ray free electron laser absorption spectroscopy experiments

    SciTech Connect (OSTI)

    Gaudin, J.; Fourment, C.; Cho, B. I.; Engelhorn, K.; Galtier, E.; Harmand, M.; Leguay, P. M.; Lee, H. J.; Nagler, B.; Nakatsutsumi, M.; Ozkan, C.; Strmer, M.; Toleikis, S.; Tschentscher, Th.; Heimann, P. A.; Dorchies, F.

    2014-04-17

    The rapidly growing ultrafast science with X-ray lasers unveils atomic scale processes with unprecedented time resolution bringing the so called molecular movie within reach. X-ray absorption spectroscopy is one of the most powerful x-ray techniques providing both local atomic order and electronic structure when coupled with ad-hoc theory. Collecting absorption spectra within few x-ray pulses is possible only in a dispersive setup. We demonstrate ultrafast time-resolved measurements of the LIII-edge x-ray absorption near-edge spectra of irreversibly laser excited Molybdenum using an average of only few x-ray pulses with a signal to noise ratio limited only by the saturation level of the detector. The simplicity of the experimental set-up makes this technique versatile and applicable for a wide range of pump-probe experiments, particularly in the case of non-reversible processes.

  4. Towards simultaneous measurements of electronic and structural properties in ultra-fast x-ray free electron laser absorption spectroscopy experiments

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Gaudin, J.; Fourment, C.; Cho, B. I.; Engelhorn, K.; Galtier, E.; Harmand, M.; Leguay, P. M.; Lee, H. J.; Nagler, B.; Nakatsutsumi, M.; et al

    2014-04-17

    The rapidly growing ultrafast science with X-ray lasers unveils atomic scale processes with unprecedented time resolution bringing the so called “molecular movie” within reach. X-ray absorption spectroscopy is one of the most powerful x-ray techniques providing both local atomic order and electronic structure when coupled with ad-hoc theory. Collecting absorption spectra within few x-ray pulses is possible only in a dispersive setup. We demonstrate ultrafast time-resolved measurements of the LIII-edge x-ray absorption near-edge spectra of irreversibly laser excited Molybdenum using an average of only few x-ray pulses with a signal to noise ratio limited only by the saturation level ofmore » the detector. The simplicity of the experimental set-up makes this technique versatile and applicable for a wide range of pump-probe experiments, particularly in the case of non-reversible processes.« less

  5. TU-A-9A-07: X-Ray Acoustic Computed Tomography (XACT): 100% Sensitivity to X-Ray Absorption

    SciTech Connect (OSTI)

    Xiang, L; Ahmad, M; Nikoozadeh, A; Pratx, G; Khuri-Yakub, B; Xing, L

    2014-06-15

    Purpose: To assess whether X-ray acoustic computed tomography (XACT) is more sensitive to X-ray absorption than that of the conventional X-ray imaging. Methods: First, a theoretical model was built to analyze the X-ray absorption sensitivity of XACT imaging and conventional X-ray imaging. Second, an XACT imaging system was developed to evaluate the X-ray induced acoustic signal generation as well as the sensitivity improvement over transmission x-ray imaging. Ultra-short x-ray pulses (60-nanosecond) were generated from an X-ray source operated at the energy of 150 kVp with a 10-Hz repetition rate. The X-ray pulse was synchronized with the acoustic detection via a x-ray scintillation triggering to acquire the X-ray induced acoustic signal. Results: Theoretical analysis shows that X-ray induced acoustic signal is sensitive only to the X-ray absorption, while completely insensitive to out the X-ray scattering and fluorescence. XACT has reduced background and increased contrast-to-noise ratio, and therefore has increased sensitivity compared to transmission x-ray imaging. For a 50-μm size, gadolinium insertion in tissue exposed to 40 keV X-rays; the sensitivity of XACT imaging is about 28.9 times higher than that of conventional X-ray imaging. Conclusion: X-ray acoustic computer tomography (XACT) as a new imaging modality combines X-ray absorption contrast and high ultrasonic resolution in a single modality. It is feasible to improve the imaging sensitivity with XACT imaging compared with conventional X-ray imaging. Taking advantage of the high ultrasonic resolution, it is possible to perform 3-D imaging with a single x-ray pulse with arrays of transducers without any mechanical motion of the imaging system. This single-shot capability offers the potential of reducing radiation dose by a factor of 1000, and imaging 100 times faster when compared to the conventional X-ray CT, and thus revolutionizing x-ray imaging applications in medicine and biology. The authors

  6. X-ray absorption spectroscopy of Mn doped ZnO thin films prepared by rf sputtering technique

    SciTech Connect (OSTI)

    Yadav, Ashok Kumar; Jha, S. N.; Bhattacharyya, D.; Haque, Sk Maidul; Shukla, Dinesh; Choudhary, Ram Janay

    2015-11-15

    A set of r.f. sputter deposited ZnO thin films prepared with different Mn doping concentrations have been characterised by Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Spectroscopy (XANES) measurements at Zn, Mn and O K edges and at Mn L{sub 2,3} edges apart from long range structural characterisation by Grazing Incident X-ray Diffraction (GIXRD) technique. Magnetic measurements show room temperature ferromagnetism in samples with lower Mn doping which is however, gets destroyed at higher Mn doping concentration. The results of the magnetic measurements have been explained using the local structure information obtained from EXAFS and XANES measurements.

  7. Femtosecond x-ray absorption spectroscopy with hard x-ray free electron laser

    SciTech Connect (OSTI)

    Katayama, Tetsuo; Togashi, Tadashi; Tono, Kensuke; Kameshima, Takashi; Inubushi, Yuichi; Sato, Takahiro; Hatsui, Takaki; Yabashi, Makina; Obara, Yuki; Misawa, Kazuhiko; Bhattacharya, Atanu; Kurahashi, Naoya; Ogi, Yoshihiro; Suzuki, Toshinori; Molecular Reaction Dynamics Research Team, RIKEN Center for Advanced Photonics, 2-1 Hirosawa, Wako 351-0198

    2013-09-23

    We have developed a method of dispersive x-ray absorption spectroscopy with a hard x-ray free electron laser (XFEL), generated by a self-amplified spontaneous emission (SASE) mechanism. A transmission grating was utilized for splitting SASE-XFEL light, which has a relatively large bandwidth (ΔE/E ∼ 5 × 10{sup −3}), into several branches. Two primary split beams were introduced into a dispersive spectrometer for measuring signal and reference spectra simultaneously. After normalization, we obtained a Zn K-edge absorption spectrum with a photon-energy range of 210 eV, which is in excellent agreement with that measured by a conventional wavelength-scanning method. From the analysis of the difference spectra, the noise ratio was evaluated to be ∼3 × 10{sup −3}, which is sufficiently small to trace minute changes in transient spectra induced by an ultrafast optical laser. This scheme enables us to perform single-shot, high-accuracy x-ray absorption spectroscopy with femtosecond time resolution.

  8. Auto-oligomerization and hydration of pyrrole revealed by x-ray absorption spectroscopy

    SciTech Connect (OSTI)

    Advanced Light Source; Schwartz, Craig P.; Uejio, Janel S.; Duffin, Andrew M.; England, Alice H.; Prendergast, David; Saykally, Richard J

    2009-05-29

    Near edge x-ray absorption fine structure (NEXAFS) spectra have been measured at the carbon and nitrogen K-edges of the prototypical aromatic molecule, pyrrole, both in the gas phase and when solvated in water, and compared with spectra simulated using a combination of classical molecular dynamics and first principles density functional theory in the excited state core hole approximation. The excellent agreement enabled detailed assignments. Pyrrole is highly reactive, particularly in water, and reaction products formed by the auto-oligomerization of pyrrole are identified. The solvated spectra have been measured at two different temperatures, indicating that the final states remain largely unaffected by both hydration and temperature. This is somewhat unexpected, since the nitrogen in pyrrole can donate a hydrogen bond to water.

  9. X-ray-absorption study of CuBr at high pressure

    SciTech Connect (OSTI)

    Tranquada, J.M.; Ingalls, R.

    1986-09-15

    The x-ray-absorption spectrum of cuprous bromide has been measured as a function of pressure. The x-ray-absorption near-edge structure proved to be an excellent indicator of high-pressure phase transitions in this material. The normalized ''white-line'' peak heights at both the Cu and Br K-italic edges decreased on entering the tetragonal phase and increased in going to the NaCl structure. The zinc-blende to tetragonal phase transition took place over a very narrow pressure range centered at 46 +- 5 kbar. The transformation from the tetragonal to the NaCl structure, on the other hand, showed a broad mixed-phase region, suggesting a nucleation-and-growth mechanism for the transition. The mixed-phase region was centered at 75 +- 6 kbar. No evidence of a phase between the zinc-blende and tetragonal phases was observed, presumably because it does not exist. Analysis of the extended x-ray-absorption fine-structure (EXAFS) clearly showed that there is no change in coordination in going from the zinc-blende to the tetragonal phase although the nearest-neighbor distance increases slightly. A much larger increase in R-italic/sub 1/ occurs at the transition to the NaCl structure, where the coordination increases from 4 to 6. The mean-square deviation in the nearest-neighbor bond length, sigma/sub 1//sup 2/, appears to be a fairly smooth function of nearest-neighbor distance, decreasing (or increasing) as R-italic/sub 1/ decreases (or increases) more or less independent of structure. Evidence from the literature was presented to suggest that the zinc-blende to tetragonal transition in CuBr (and also CuCl) should occur by shear deformation.

  10. Molecular conformation changes in alkylthiol ligands as a function of size in gold nanoparticles: X-ray absorption studies

    SciTech Connect (OSTI)

    Ramallo-Lopez, J. M.; Giovanetti, L. J.; Requejo, F. G.; Isaacs, S. R.; Shon, Y. S.; Salmeron, M.

    2006-08-15

    The bonding of hexanethiols to gold nanoparticles of 1.5, 2.0, and 3 nm was studied using x-ray absorption near-edge spectroscopy (XANES) and extended x-ray absorption fine structure (EXAFS). The XANES spectra revealed that a substantial fraction of weakly bound hexanethiol molecules are present in addition to those forming covalent bonds with Au atoms. The weakly bound molecules can be removed by washing in dichloromethane. After removal of the weakly bound molecules the S K-edge XANES reveals peaks due to S-Au and S-C bonds with intensities that change as a function of particle size. Au L{sub 3}-edge EXAFS results indicate that these changes follow the changes in coordination number of Au to the S atoms at the surface of the particles.

  11. X-ray absorption fine-structure spectroscopy (Book) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    X-ray absorption fine-structure spectroscopy Citation Details In-Document Search Title: X-ray absorption fine-structure spectroscopy Authors: Newville, M. 1 + Show Author ...

  12. Combined in Situ X-ray absorption and diffuse reflectance infraredspectroscopy: An attractive tool for catalytic investigations

    SciTech Connect (OSTI)

    Marinkovic, N.S.; Ehrlich, S.; Wang, Q.; Barrio, L.; Khalid, S.; et.al.

    2010-11-24

    Catalysis investigations are often followed in a range of spectroscopic techniques. While diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) can be done on a bench-top instrument, X-ray absorption spectroscopy (XAS) techniques, such as extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES) require synchrotron light. In order to ensure the same conditions during in situ catalysis for each method, a combined XAS/DRIFTS has been developed at beamline X18A at the National Synchrotron Light Source, Brookhaven National Laboratory. A rapid-scan FTIR spectrometer capable of both mid- and far-infrared measurements is equipped with an arm to redirect the IR beam outside the spectrometer. An in situ reaction chamber, equipped with glassy carbon windows for X-ray light and a KBr window for IR light passage is installed firmly on the arm. The reaction cell can be heated to 600 C and allows passage of gases through the catalyst so that both XAS and DRIFTS techniques can be done simultaneously in controlled environment conditions. Together with a fast-moving monochromator for quick-EXAFS and mass-spectrometric residual gas analysis, this new tool is a powerful method for testing catalytic reactions in real time.

  13. High pressure effects on U L[subscript 3] x-ray absorption in...

    Office of Scientific and Technical Information (OSTI)

    High pressure effects on U Lsubscript 3 x-ray absorption in partial fluorescence yield ... Citation Details In-Document Search Title: High pressure effects on U Lsubscript 3 x-ray ...

  14. Gas cell for in situ soft X-ray transmission-absorption spectroscopy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    cell for in situ soft X-ray transmission-absorption spectroscopy of materials Previous ... Abstract: A simple gas cell design, constructed primarily from commercially available ...

  15. X-Ray Absorption Spectroscopic Study of Sodium Iodide and Iodine...

    Office of Scientific and Technical Information (OSTI)

    Supercapacitor Citation Details In-Document Search Title: X-Ray Absorption Spectroscopic Study of Sodium Iodide and Iodine Mediators in a Solid-State Supercapacitor ...

  16. New developments in micro-X-ray diffraction and X-ray absorption spectroscopy for high-pressure research at 16-BM-D at the Advanced Photon Source

    SciTech Connect (OSTI)

    Park, Changyong Popov, Dmitry; Ikuta, Daijo; Lin, Chuanlong; Kenney-Benson, Curtis; Rod, Eric; Bommannavar, Arunkumar; Shen, Guoyin

    2015-07-15

    The monochromator and focusing mirrors of the 16-BM-D beamline, which is dedicated to high-pressure research with micro-X-ray diffraction (micro-XRD) and X-ray absorption near edge structure (XANES) (6-45 keV) spectroscopy, have been recently upgraded. Monochromatic X-rays are selected by a Si (111) double-crystal monochromator operated in an artificial channel-cut mode and focused to 5 μm × 5 μm (FWHM) by table-top Kirkpatrick-Baez type mirrors located near the sample stage. The typical X-ray flux is ∼5 × 10{sup 8} photons/s at 30 keV. The instrumental resolution, Δq/q{sub max}, reaches to 2 × 10{sup −3} and is tunable through adjustments of the detector distance and X-ray energy. The setup is stable and reproducible, which allows versatile application to various types of experiments including resistive heating and cryogenic cooling as well as ambient temperature compression. Transmission XANES is readily combined with micro-XRD utilizing the fixed-exit feature of the monochromator, which allows combined XRD-XANES measurements at a given sample condition.

  17. On the importance of nuclear quantum motions in near edge x-ray absorption fine structure (NEXAFS) spectroscopy of molecules

    SciTech Connect (OSTI)

    Schwartz, Craig P.; Uejio, Janel S.; Saykally, Richard J.; Prendergast, David

    2009-02-26

    We report the effects of sampling nuclear quantum motion with path integral molecular dynamics (PIMD) on calculations of the nitrogen K-edge spectra of two isolated organic molecules. S-triazine, a prototypical aromatic molecule occupying primarily its vibrational ground state at room temperature, exhibits substantially improved spectral agreement when nuclear quantum effects are included via PIMD, as compared to the spectra obtained from either a single fixed-nuclei based calculation or from a series of configurations extracted from a classical molecular dynamics trajectory. Nuclear quantum dynamics can accurately explain the intrinsic broadening of certain features. Glycine, the simplest amino acid, is problematic due to large spectral variations associated with multiple energetically accessible conformations at the experimental temperature. This work highlights the sensitivity of NEXAFS to quantum nuclear motions in molecules, and the necessity of accurately sampling such quantum motion when simulating their NEXAFS spectra.

  18. Vibronic fine structure in high-resolution x-ray absorption spectra from ion-bombarded boron nitride nanotubes

    SciTech Connect (OSTI)

    Petravic, Mladen; Peter, Robert; Varasanec, Marijana; Li Luhua; Chen Ying; Cowie, Bruce C. C.

    2013-05-15

    The authors have applied high-resolution near-edge x-ray absorption fine structure measurements around the nitrogen K-edge to study the effects of ion-bombardment on near-surface properties of boron nitride nanotubes. A notable difference has been observed between surface sensitive partial electron yield (PEY) and bulk sensitive total electron yield (TEY) fine-structure measurements. The authors assign the PEY fine structure to the coupling of excited molecular vibrational modes to electronic transitions in NO molecules trapped just below the surface. Oxidation resistance of the boron nitride nanotubes is significantly reduced by low energy ion bombardment, as broken B-N bonds are replaced by N-O bonds involving oxygen present in the surface region. In contrast to the PEY spectra, the bulk sensitive TEY measurements on as-grown samples do not exhibit any fine structure while the ion-bombarded samples show a clear vibronic signature of molecular nitrogen.

  19. X-ray absorption fine structure spectroscopic determination of plutonium speciation at the Rocky Flats environmental technology

    SciTech Connect (OSTI)

    Lezama-pacheco, Juan S; Conradson, Steven D; Clark, David L

    2008-01-01

    X-ray Absorption Fine Structure spectroscopy was used to probe the speciation of the ppm level Pu in thirteen soil and concrete samples from the Rocky Flats Environmental Technology Site in support of the site remediation effort that has been successfully completed since these measurements. In addition to X-ray Absorption Near Edge Spectra, two of the samples yielded Extended X-ray Absorption Fine Structure spectra that could be analyzed by curve-fits. Most of these spectra exhibited features consistent with PU(IV), and more specificaJly, PuO{sub 2+x}-type speciation. Two were ambiguous, possibly indicating that Pu that was originally present in a different form was transforming into PuO{sub 2+x}, and one was interpreted as demonstrating the presence of an unusual Pu(VI) compound, consistent with its source being spills from a PUREX purification line onto a concrete floor and the resultant extreme conditions. These experimental results therefore validated models that predicted that insoluble PuO{sub 2+x} would be the most stable form of Pu in equilibrium with air and water even when the source terms were most likely Pu metal with organic compounds or a Pu fire. A corollary of these models' predictions and other in situ observations is therefore that the minimal transport of Pu that occurred on the site was via the resuspension and mobilization of colloidal particles. Under these conditions, the small amounts of diffusely distributed Pu that were left on the site after its remediation pose only a negligible hazard.

  20. Improved self-absorption correction for extended x-ray absorption fine-structure measurements

    SciTech Connect (OSTI)

    Booth, C.H.; Bridges, F.

    2003-06-04

    Extended x-ray absorption fine-structure (EXAFS) data collected in the fluorescence mode are susceptible to an apparent amplitude reduction due to the self-absorption of the fluorescing photon by the sample before it reaches a detector. Previous treatments have made the simplifying assumption that the effect of the EXAFS on the correction term is negligible, and that the samples are in the thick limit. We present a nearly exact treatment that can be applied for any sample thickness or concentration, and retains the EXAFS oscillations in the correction term.

  1. Phase Effects on Mesoscale Object X-ray Absorption Images

    SciTech Connect (OSTI)

    Martz, Jr., H E; Aufderheide, M B; Barty, A; Lehman, S K; Kozioziemski, B J; Schneberk, D J

    2004-09-24

    At Lawrence Livermore National Laboratory particular emphasis is being placed on the nondestructive characterization (NDC) of 'mesoscale' objects.[Martz and Albrecht 2003] We define mesoscale objects as objects that have mm extent with {micro}m features. Here we confine our discussions to x-ray imaging methods applicable to mesoscale object characterization. The goal is object recovery algorithms including phase to enable emerging high-spatial resolution x-ray imaging methods to ''see'' inside or image mesoscale-size materials and objects. To be successful our imaging characterization effort must be able to recover the object function to one micrometer or better spatial resolution over a few millimeters field-of-view with very high contrast.

  2. Low-dimensional systems investigated by x-ray absorption spectroscopy...

    Office of Scientific and Technical Information (OSTI)

    Title: Low-dimensional systems investigated by x-ray absorption spectroscopy: a selection of 2D, 1D and 0D cases Authors: Mino, Lorenzo ; Agostini, Giovanni ; Borfecchia, Elisa ; ...

  3. Structure of epitaxial (Fe,N) codoped rutile TiO2 thin films by x-ray absorption

    SciTech Connect (OSTI)

    Kaspar, Tiffany C.; Ney, A.; Mangham, Andrew N.; Heald, Steve M.; Joly, Yves; Ney, V.; Wilhelm, F.; Rogalev, A.; Yakou, Flora; Chambers, Scott A.

    2012-07-23

    Homoepitaxial thin films of Fe:TiO2 and (Fe,N):TiO2 were deposited on rutile(110) by molecular beam epitaxy. X-ray absorption near edge spectroscopy (XANES) spectra were collected at the Ti L-edge, Fe L-edge, O K-edge, N K-edge, and Ti K-edge. No evidence of structural disorder associated with a high concentration of oxygen vacancies is observed. Substitution of Fe for Ti could not be confirmed, although secondary phase Fe2O3 and metallic Fe can be ruled out. The similarity of the N K-edge spectra to O, and the presence of a strong x-ray linear dichroism (XLD) signal for the N K-edge, indicates that N is substitutional for O in the rutile lattice, and is not present as a secondary phase such as TiN. Simulations of the XANES spectra qualitatively confirm substitution, although N appears to be present in more than one local environment. Neither Fe:TiO2 nor (Fe,N):TiO2 exhibit intrinsic room temperature ferromagnetism, despite the presence of mixed valence Fe(II)/Fe(III) in the reduced (Fe,N):TiO2 film.

  4. Quantitative Phase Composition of TiO2-Coated Nanoporous-Au Monoliths by X-ray Absorption Spectroscopy and Correlations to Catalytic

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bagge-Hansen, Michael; Wichmann, Andre; Wittstock, Arne; Lee, Jonathan R. I.; Ye, Jianchao; Willey, Trevor M.; Kuntz, Joshua D.; van Buuren, Tony; Biener, Juergen; Baumer, Marcus; et al

    2014-02-03

    Porous titania/metal composite materials have many potential applications in the fields of green catalysis, energy harvesting, and storage in which both the overall morphology of the nanoporous host material and the crystallographic phase of the titania (TiO 2) guest determine the material’s performance. New insights into the structure–function relationships of these materials were obtained by near-edge X-ray absorption fine structure (NEXAFS) spectroscopy that, for example, provides quantitative crystallographic phase composition from ultrathin, nanostructured titania films, including sensitivity to amorphous components. We demonstrate that crystallographic phase, morphology, and catalytic activity of TiO 2-functionalized nanoporous gold (np-Au) can be controlled by amore » simple annealing procedure (T < 1300 K). The material was prepared by atomic layer deposition of ~2 nm thick TiO2 on millimeter-sized samples of np-Au (40–50 nm mean ligament size) and catalytically investigated with respect to aerobic CO oxidation. Moreover, the annealing-induced changes in catalytic activity are correlated with concurrent morphology and phase changes as provided by cross-sectional scanning electron microscopy, transmission electron microscopy, and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy.« less

  5. X-ray absorption spectroscopy on the calcium cofactor to the manganese cluster in photosynthetic oxygen evolution

    SciTech Connect (OSTI)

    Cinco, Roehl M.

    1999-12-16

    Along with Mn, calcium and chloride ions are necessary cofactors for oxygen evolution in Photosystem II (PS II). To further test and verify whether Ca is close to the Mn cluster, the authors substituted strontium for Ca and probed from the Sr point of view for any nearby Mn. The extended X-ray absorption fine structure (EXAFS) of Sr-reactivated PS II indicates major differences between the intact and NH{sub 2}OH-treated samples. In intact samples, the Fourier transform of the Sr EXAFS shows a Fourier peak that is missing in inactive samples. This peak II is best simulated by two Mn neighbors at a distance of 3.5 Angstrom, confirming the proximity of Ca (Sr) cofactor to the Mn cluster. In addition, polarized Sr EXAFS on oriented Sr-reactivated samples shows this peak II is dichroic: large magnitude at 10 degrees (angle between the PS II membrane normal and the x-ray electric field vector) and small at 80 degrees. Analysis of the dichroism yields the relative angle between the Sr-Mn vector and membrane normal (23 degrees {+-} 4 degrees), and the isotropic coordination number for these layered samples. X-ray absorption spectroscopy has also been employed to assess the degree of similarity between the manganese cluster in PS II and a family of synthetic manganese complexes containing the distorted cubane [Mn{sub 4}O{sub 3}X] core (X = benzoate, acetate, methoxide, hydroxide, azide, fluoride, chloride or bromide). In addition, Mn{sub 4}O{sub 3}Cl complexes containing three or six terminal Cl ligands at three of the Mn were included in this study. The EXAFS method detects the small changes in the core structures as X is varied in this series, and serves to exclude these distorted cubanes of C3v symmetry as a topological model for the Mn catalytic cluster. The sulfur K-edge x-ray absorption near-edge structure (XANES) spectra for the amino acids cysteine, methionine, their corresponding oxidized forms cystine and methionine sulfoxide, and glutathione show distinct

  6. An in situ sample environment reaction cell for spatially resolved x-ray absorption spectroscopy studies of powders and small structured reactors

    SciTech Connect (OSTI)

    Zhang, Chu; Gustafson, Johan; Merte, Lindsay R.; Evertsson, Jonas; Norén, Katarina; Carlson, Stefan; Svensson, Håkan; Carlsson, Per-Anders

    2015-03-15

    An easy-to-use sample environment reaction cell for X-ray based in situ studies of powders and small structured samples, e.g., powder, pellet, and monolith catalysts, is described. The design of the cell allows for flexible use of appropriate X-ray transparent windows, shielding the sample from ambient conditions, such that incident X-ray energies as low as 3 keV can be used. Thus, in situ X-ray absorption spectroscopy (XAS) measurements in either transmission or fluorescence mode are facilitated. Total gas flows up to about 500 ml{sub n}/min can be fed while the sample temperature is accurately controlled (at least) in the range of 25–500 °C. The gas feed is composed by a versatile gas-mixing system and the effluent gas flow composition is monitored with mass spectrometry (MS). These systems are described briefly. Results from simultaneous XAS/MS measurements during oxidation of carbon monoxide over a 4% Pt/Al{sub 2}O{sub 3} powder catalyst are used to illustrate the system performance in terms of transmission XAS. Also, 2.2% Pd/Al{sub 2}O{sub 3} and 2% Ag − Al{sub 2}O{sub 3} powder catalysts have been used to demonstrate X-ray absorption near-edge structure (XANES) spectroscopy in fluorescence mode. Further, a 2% Pt/Al{sub 2}O{sub 3} monolith catalyst was used ex situ for transmission XANES. The reaction cell opens for facile studies of structure-function relationships for model as well as realistic catalysts both in the form of powders, small pellets, and coated or extruded monoliths at near realistic conditions. The applicability of the cell for X-ray diffraction measurements is discussed.

  7. A table-top femtosecond time-resolved soft x-ray transient absorption spectrometer

    SciTech Connect (OSTI)

    Leone, Stephen; Loh, Zhi-Heng; Khalil, Munira; Correa, Raoul E.; Leone, Stephen R.

    2008-05-21

    A laser-based, table-top instrument is constructed to perform femtosecond soft x-ray transient absorption spectroscopy. Ultrashort soft x-ray pulses produced via high-order harmonic generation of the amplified output of a femtosecond Ti:sapphire laser system are used to probe atomic core-level transient absorptions in atoms and molecules. The results provide chemically specific, time-resolved dynamics with sub-50-fs time resolution. In this setup, high-order harmonics generated in a Ne-filled capillary waveguide are refocused by a gold-coated toroidal mirror into the sample gas cell, where the soft x-ray light intersects with an optical pump pulse. The transmitted high-order harmonics are spectrally dispersed with a home-built soft x-ray spectrometer, which consists of a gold-coated toroidal mirror, a uniform-line spaced plane grating, and a soft x-ray CCD camera. The optical layout of the instrument, design of the soft x-ray spectrometer, and spatial and temporal characterization of the high-order harmonics are described. Examples of static and time-resolved photoabsorption spectra collected on this apparatus are presented.

  8. Magnetic circular dichroism in x-ray absorption and core-level photoemission

    SciTech Connect (OSTI)

    Tobin, J.G.; Waddill, G.D.; Gouder, T.H.; Colmenares, C.A.; Pappas, D.P.

    1993-03-17

    Here is reported observation of magnetic circular dichroism in both x-ray absorption and core-level photoemission of ultra thin magnetic films using circularly polarized x-rays. Iron films (1--4 ML) grown on a Cu(001) substrate at 150 K and magnetized perpendicular to the surface show dramatic changes in the L{sub 2,3} branching ratio for different x-ray polarizations. For linearly-polarized x-rays perpendicular to the magnetic axis of the sample the branching ratio was 0.75. For films {ge} 2 ML, this ratio varied from 0.64 to 0.85 for photon spin parallel and anti-parallel, respectively, to the magnetic axis. This effect was observed either by changing the x-ray helicity for a fixed magnetic axis, or by reversing the magnetic axis for a fixed x-ray helicity. Our observation can be analyzed within a simple one-electron picture, if the raw branching ratios are no so that the linear value becomes statistical Furthermore, warming the films to {approximately}300 K eliminated this effect, indicating a loss of magnetization in the film over a temperature range of {approximately}30 K. Finally, reversing the relative orientation of the photon spin and the magnetic axis from parallel to anti-parallel allowed measurement of the exchange splitting of the Fe 2p and 3p core levels which were found to be 0.3 eV and 0.2 eV. respectively. These results are consistent with earlier studies, but the use of off-plane circularly-polarized x-rays from a bending magnet monochromator offers {approximately}2 orders of magnitude greater intensity than typical spin-polarization measurements. Finally, we have performed preliminary x-ray absorption studies of UFe{sub 2}, demonstrating the feasibilty of MCD measurements in 5f as well as 3d materials.

  9. Local structure of Fe in Fe-doped misfit-layered calcium cobaltite: An X-ray absorption spectroscopy study

    SciTech Connect (OSTI)

    Prasoetsopha, Natkrita; Pinitsoontorn, Supree; Bootchanont, Atipong; Kidkhunthod, Pinit; Srepusharawoot, Pornjuk; Kamwanna, Teerasak; Amornkitbamrung, Vittaya; Kurosaki, Ken; Yamanaka, Shinsuke

    2013-08-15

    Polycrystalline Ca{sub 3}Co{sub 4?x}Fe{sub x}O{sub 9+?} ceramics (x=0, 0.01, 0.03, 0.05) were fabricated using a simple thermal hydro-decomposition method and a spark plasma sintering technique. Thermoelectric property measurements showed that increasing Fe concentration resulted in a decrease in electrical resistivity, thermopower and thermal conductivity, leading to an improvement in the dimensionless figure-of-merit, >35% for x=0.05 at 1073 K. An X-ray absorption spectroscopy technique was used to investigate the local structure of Fe ions in the Ca{sub 3}Co{sub 4?x}Fe{sub x}O{sub 9+?} structure for the first time. By fitting data from the extended X-ray absorption fine structure (EXAFS) spectra and analyzing the X-ray absorption near-edge structure (XANES) spectra incorporated with first principle simulation, it was shown that Fe was substituted for Co in the the Ca{sub 2}CoO{sub 3} (rocksalt, RS) layer rather than in the CoO{sub 2} layer. Variation in the thermoelectric properties as a function of Fe concentration was attributed to charge transfer between the CoO{sub 2} and the RS layers. The origin of the preferential Fe substitution site was investigated considering the ionic radii of Co and Fe and the total energy of the system. - Graphical abstract: The Fe K-edge XANES spectra of: (a) experimental result in comparison to the simulated spectra when Fe atoms were substituted in the RS layer; (b) with magnetic moment; (c) without magnetic moment, and in the CoO{sub 2} layer; (d) with magnetic moment and (e) without magnetic moment. Highlights: Synthesis, structural studies, and thermoelectric properties of Ca{sub 3}Co{sub 4?x}Fe{sub x}O{sub 9+?}. Direct evidence for the local structure of the Fe ions in the Ca{sub 3}Co{sub 4?x}Fe{sub x}O{sub 9+?} using XAS analysis. EXAFS and XANES analysis showed that Fe was likely to be situated in the RS layer structure. Changes in TE property with Fe content was due to charge transfer between the CoO{sub 2} and

  10. Direct speciation analysis of arsenic in sub-cellular compartments using micro-X-ray absorption spectroscopy

    SciTech Connect (OSTI)

    Bacquart, Thomas; Deves, Guillaume; Ortega, Richard

    2010-07-15

    Identification of arsenic chemical species at a sub-cellular level is a key to understanding the mechanisms involved in arsenic toxicology and antitumor pharmacology. When performed with a microbeam, X-ray absorption near-edge structure ({mu}-XANES) enables the direct speciation analysis of arsenic in sub-cellular compartments avoiding cell fractionation and other preparation steps that might modify the chemical species. This methodology couples tracking of cellular organelles in a single cell by confocal or epifluorescence microscopy with local analysis of chemical species by {mu}-XANES. Here we report the results obtained with a {mu}-XANES experimental setup based on Kirkpatrick-Baez X-ray focusing optics that maintains high flux of incoming radiation (>10{sup 11} ph/s) at micrometric spatial resolution (1.5x4.0 {mu}m{sup 2}). This original experimental setup enabled the direct speciation analysis of arsenic in sub-cellular organelles with a 10{sup -15} g detection limit. {mu}-XANES shows that inorganic arsenite, As(OH){sub 3}, is the main form of arsenic in the cytosol, nucleus, and mitochondrial network of cultured cancer cells exposed to As{sub 2}O{sub 3}. On the other hand, a predominance of As(III) species is observed in HepG2 cells exposed to As(OH){sub 3} with, in some cases, oxidation to a pentavalent form in nuclear structures of HepG2 cells. The observation of intra-nuclear mixed redox states suggests an inter-individual variability in a cell population that can only be evidenced with direct sub-cellular speciation analysis.

  11. Surface extended x-ray absorption fine structure of low-Z absorbates using fluorescence detection

    SciTech Connect (OSTI)

    Stoehr, J.; Kollin, E.B.; Fischer, D.A.; Hastings, J.B.; Zaera, F.; Sette, F.

    1985-05-01

    Comparison of x-ray fluorescence yield (FY) and electron yield surface extended x-ray absorption fine structure spectra above the S K-edge for c(2 x 2) S on Ni(100) reveals an order of magnitude higher sensitivity of the FY technique. Using FY detection, thiophene (C/sub 4/H/sub 4/S) chemisorption on Ni(100) is studied with S coverages down to 0.08 monolayer. The molecule dissociates at temperatures as low as 100K by interaction with fourfold hollow Ni sites. Blocking of these sites by oxygen leaves the molecule intact.

  12. Observing heme doming in myoglobin with femtosecond X-ray absorption spectroscopy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Levantino, M.; Lemke, H. T.; Schirò, G.; Glownia, M.; Cupane, A.; Cammarata, M.

    2015-07-01

    We report time-resolved X-ray absorption measurements after photolysis of carbonmonoxy myoglobin performed at the LCLS X-ray free electron laser with nearly 100 fs (FWHM) time resolution. Data at the Fe K-edge reveal that the photoinduced structural changes at the heme occur in two steps, with a faster (~70 fs) relaxation preceding a slower (~400 fs) one. We tentatively attribute the first relaxation to a structural rearrangement induced by photolysis involving essentially only the heme chromophore and the second relaxation to a residual Fe motion out of the heme plane that is coupled to the displacement of myoglobin F-helix.

  13. Observing heme doming in myoglobin with femtosecond X-ray absorption spectroscopya)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Levantino, M.; Lemke, H. T.; Schir, G.; Glownia, M.; Cupane, A.; Cammarata, M.

    2015-07-01

    We report time-resolved X-ray absorption measurements after photolysis of carbonmonoxy myoglobin performed at the LCLS X-ray free electron laser with nearly 100 fs (FWHM) time resolution. Data at the Fe K-edge reveal that the photoinduced structural changes at the heme occur in two steps, with a faster (~70 fs) relaxation preceding a slower (~400 fs) one. We tentatively attribute the first relaxation to a structural rearrangement induced by photolysis involving essentially only the heme chromophore and the second relaxation to a residual Fe motion out of the heme plane that is coupled to the displacement of myoglobin F-helix.

  14. ISMabs: A COMPREHENSIVE X-RAY ABSORPTION MODEL FOR THE INTERSTELLAR MEDIUM

    SciTech Connect (OSTI)

    Gatuzz, E.; Mendoza, C.; García, J.; Kallman, T. R.; Gorczyca, T. W. E-mail: claudio@ivic.gob.ve E-mail: timothy.r.kallman@nasa.gov

    2015-02-10

    We present an X-ray absorption model for the interstellar medium, to be referred to as ISMabs, that takes into account both neutral and ionized species of cosmically abundant elements, and includes the most accurate atomic data available. Using high-resolution spectra from eight X-ray binaries obtained with the Chandra High Energy Transmission Grating Spectrometer, we proceed to benchmark the atomic data in the model particularly in the neon K-edge region. Compared with previous photoabsorption models, which solely rely on neutral species, the inclusion of ions leads to improved spectral fits. Fit parameters comprise the column densities of abundant contributors that allow direct estimates of the ionization states. ISMabs is provided in the appropriate format to be implemented in widely used X-ray spectral fitting packages such as XSPEC, ISIS, and SHERPA.

  15. X-ray absorption spectroscopic studies of mononuclear non-heme iron enzymes

    SciTech Connect (OSTI)

    Westre, T.E.

    1996-01-01

    Fe-K-edge X-ray absorption spectroscopy (XAS) has been used to investigate the electronic and geometric structure of the iron active site in non-heme iron enzymes. A new theoretical extended X-ray absorption fine structure (EXAFS) analysis approach, called GNXAS, has been tested on data for iron model complexes to evaluate the utility and reliability of this new technique, especially with respect to the effects of multiple-scattering. In addition, a detailed analysis of the 1s{yields}3d pre-edge feature has been developed as a tool for investigating the oxidation state, spin state, and geometry of iron sites. Edge and EXAFS analyses have then been applied to the study of non-heme iron enzyme active sites.

  16. Atomic structure of machined semiconducting chips: An x-ray absorption spectroscopy study

    SciTech Connect (OSTI)

    Paesler, M.; Sayers, D.

    1988-12-01

    X-ray absorption spectroscopy (XAS) has been used to examine the atomic structure of chips of germanium that were produced by single point diamond machining. It is demonstrated that although the local (nearest neighbor) atomic structure is experimentally quite similar to that of single crystal specimens information from more distant atoms indicates the presence of considerable stress. An outline of the technique is given and the strength of XAS in studying the machining process is demonstrated.

  17. Performance and analysis of absorption experiments on x-ray heated low-Z constrained samples

    SciTech Connect (OSTI)

    Lee, R.W.; Cauble, R.; Perry, T.S.; Springer, P.T.; Fields, D.F.; Bach, D.R.; Serduke, F.J.D.; Iglesias, C.A.; Rogers, F.J.; Nash, J.K.; Chen, M.H.; Wilson, B.G.; Goldstein, W.H.; Ward, R.A.; Kilkenny, J.D.; Doyas, R.; Da Silva, L.B.; Back, C.A.; Davidson, S.J.; Foster, J.M.; Smith, C.C.

    1996-05-01

    Results of experiments on the absorption of niobium in a hot, dense plasma are presented. These results represent a major step in the development of absorption techniques necessary for the quantitative characterization of hot, dense matter. A general discussion is presented of the requirements for performing quantitative analysis of absorption spectra. Hydrodynamic simulations are used to illustrate the behavior of tamped X-ray-heated matter and to indicate effects that can arise from the two dimensional aspects of the experiment. The absorption spectrum of a low-Z material, in this case aluminum, provides a temperature diagnostic and indicates the advance of the absorption measurement technique to the level of application. The experimental technique is placed in context with a review of other measurements using absorption spectroscopy to probe hot, dense matter.

  18. An X-ray Absorption Fine Structure study of Au adsorbed onto the non-metabolizing cells of two soil bacterial species

    SciTech Connect (OSTI)

    Song, Zhen; Kenney, Janice P.L.; Fein, Jeremy B.; Bunker, Bruce A.

    2015-02-09

    Gram-positive and Gram-negative bacterial cells can remove Au from Au(III)-chloride solutions, and the extent of removal is strongly pH dependent. In order to determine the removal mechanisms, X-ray Absorption Fine Structure (XAFS) spectroscopy experiments were conducted on non-metabolizing biomass of Bacillus subtilis and Pseudomonas putida with fixed Au(III) concentrations over a range of bacterial concentrations and pH values. X-ray Absorption Near Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS) data on both bacterial species indicate that more than 90% of the Au atoms on the bacterial cell walls were reduced to Au(I). In contrast to what has been observed for Au(III) interaction with metabolizing bacterial cells, no Au(0) or Au-Au nearest neighbors were observed in our experimental systems. All of the removed Au was present as adsorbed bacterial surface complexes. For both species, the XAFS data suggest that although Au-chloride-hydroxide aqueous complexes dominate the speciation of Au in solution, Au on the bacterial cell wall is characterized predominantly by binding of Au atoms to sulfhydryl functional groups and amine and/or carboxyl functional groups, and the relative importance of the sulfhydryl groups increases with increasing pH and with decreasing Au loading. The XAFS data for both microorganism species suggest that adsorption is the first step in the formation of Au nanoparticles by bacteria, and the results enhance our ability to account for the behavior of Au in bacteria-bearing geologic systems.

  19. Absorption and Phase Contrast X-Ray Imaging in Paleontology Using Laboratory and Synchrotron Sources

    SciTech Connect (OSTI)

    Bidola, Pidassa; Stockmar, Marco; Achterhold, Klaus; Pfeiffer, Franz; Pacheco, Mirian L.A.F.; Soriano, Carmen; Beckmann, Felix; Herzen, Julia

    2015-10-01

    X-ray micro-computed tomography (CT) is commonly used for imaging of samples in biomedical or materials science research. Owing to the ability to visualize a sample in a nondestructive way, X-ray CT is perfectly suited to inspect fossilized specimens, which are mostly unique or rare. In certain regions of the world where important sedimentation events occurred in the Precambrian geological time, several fossilized animals are studied to understand questions related to their origin, environment, and life evolution. This article demonstrates the advantages of applying absorption and phase-contrast CT on the enigmatic fossil Corumbella werneri, one of the oldest known animals capable of building hard parts, originally discovered in Corumba (Brazil). Different tomographic setups were tested to visualize the fossilized inner structures: a commercial laboratory-based CT device, two synchrotron-based imaging setups using conventional absorption and propagation-based phase contrast, and a commercial X-ray microscope with a lens-coupled detector system, dedicated for radiography and tomography. Based on our results we discuss the strengths and weaknesses of the different imaging setups for paleontological studies.

  20. Note: Sample chamber for in situ x-ray absorption spectroscopy studies of battery materials

    SciTech Connect (OSTI)

    Pelliccione, CJ; Timofeeva, EV; Katsoudas, JP; Segre, CU

    2014-12-01

    In situ x-ray absorption spectroscopy (XAS) provides element-specific characterization of both crystalline and amorphous phases and enables direct correlations between electrochemical performance and structural characteristics of cathode and anode materials. In situ XAS measurements are very demanding to the design of the experimental setup. We have developed a sample chamber that provides electrical connectivity and inert atmosphere for operating electrochemical cells and also accounts for x-ray interactions with the chamber and cell materials. The design of the sample chamber for in situ measurements is presented along with example XAS spectra from anode materials in operating pouch cells at the Zn and Sn K-edges measured in fluorescence and transmission modes, respectively. (C) 2014 AIP Publishing LLC.

  1. X-ray absorption spectroscopy studies of electrochemically deposited thin oxide films.

    SciTech Connect (OSTI)

    Balasubramanian, M.

    1998-06-02

    We have utilized ''in situ'' X-ray Absorption Fine Structure Spectroscopy to investigate the structure and composition of thin oxide films of nickel and iron that have been prepared by electrodeposition on a graphite substrate from aqueous solutions. The films are generally disordered. Structural information has been obtained from the analysis of the data. We also present initial findings on the local structure of heavy metal ions, e.g. Sr and Ce, incorporated into the electrodeposited nickel oxide films. Our results are of importance in a number of technological applications, among them, batteries, fuel cells, electrochromic and ferroelectric materials, corrosion protection, as well as environmental speciation and remediation.

  2. Combining X-ray Absorption and X-ray Diffraction Techniques for in Situ Studies of Chemical Transformations in Heterogeneous Catalysis: Advantages and Limitations

    SciTech Connect (OSTI)

    Frenkel, A.I.; Hanson, J.; Wang, Q.; Marinkovic, N.; Chen, J.G.; Barrio, L.; Si, R.; Lopez Camara, A.; Estrella, A.M.; Rodriguez, J.A.

    2011-08-05

    Recent advances in catalysis instrumentations include synchrotron-based facilities where time-resolved X-ray scattering and absorption techniques are combined in the same in situ or operando experiment to study catalysts at work. To evaluate the advances and limitations of this method, we performed a series of experiments at the new XAFS/XRD instrument in the National Synchrotron Light Source. Nearly simultaneous X-ray diffraction (XRD) and X-ray absorption fine-structure (XAFS) measurements of structure and kinetics of several catalysts under reducing or oxidizing conditions have been performed and carefully analyzed. For CuFe{sub 2}O{sub 4} under reducing conditions, the combined use of the two techniques allowed us to obtain accurate data on kinetics of nucleation and growth of metallic Cu. For the inverse catalyst CuO/CeO{sub 2} that underwent isothermal reduction (with CO) and oxidation (with O{sub 2}), the XAFS data measured in the same experiment with XRD revealed strongly disordered Cu species that went undetected by diffraction. These and other examples emphasize the unique sensitivity of these two complementary methods to follow catalytic processes in the broad ranges of length and time scales.

  3. Combining X-ray Absorption and X-ray Diffraction Techniques for in Situ Studies of Chemical Transformations in Heterogeneous Catalysis:Advantages and Limitations

    SciTech Connect (OSTI)

    A Frenkel; Q Wang; N Marinkovic; J Chen; L Barrio; R Si; A Lopez Camara; A Estella; J Rodriquez; J Hanson

    2011-12-31

    Recent advances in catalysis instrumentations include synchrotron-based facilities where time-resolved X-ray scattering and absorption techniques are combined in the same in situ or operando experiment to study catalysts at work. To evaluate the advances and limitations of this method, we performed a series of experiments at the new XAFS/XRD instrument in the National Synchrotron Light Source. Nearly simultaneous X-ray diffraction (XRD) and X-ray absorption fine-structure (XAFS) measurements of structure and kinetics of several catalysts under reducing or oxidizing conditions have been performed and carefully analyzed. For CuFe{sub 2}O{sub 4} under reducing conditions, the combined use of the two techniques allowed us to obtain accurate data on kinetics of nucleation and growth of metallic Cu. For the inverse catalyst CuO/CeO{sub 2} that underwent isothermal reduction (with CO) and oxidation (with O{sub 2}), the XAFS data measured in the same experiment with XRD revealed strongly disordered Cu species that went undetected by diffraction. These and other examples emphasize the unique sensitivity of these two complementary methods to follow catalytic processes in the broad ranges of length and time scales.

  4. New Homogeneous Standards by Atomic Layer Deposition for Synchrotron X-ray Fluorescence and Absorption Spectroscopies.

    SciTech Connect (OSTI)

    Butterworth, A.L.; Becker, N.; Gainsforth, Z.; Lanzirotti, A.; Newville, M.; Proslier, T.; Stodolna, J.; Sutton, S.; Tyliszczak, T.; Westphal, A.J.; Zasadzinski, J.

    2012-03-13

    Quantification of synchrotron XRF analyses is typically done through comparisons with measurements on the NIST SRM 1832/1833 thin film standards. Unfortunately, these standards are inhomogeneous on small scales at the tens of percent level. We are synthesizing new homogeneous multilayer standards using the Atomic Layer Deposition technique and characterizing them using multiple analytical methods, including ellipsometry, Rutherford Back Scattering at Evans Analytical, Synchrotron X-ray Fluorescence (SXRF) at Advanced Photon Source (APS) Beamline 13-ID, Synchrotron X-ray Absorption Spectroscopy (XAS) at Advanced Light Source (ALS) Beamlines 11.0.2 and 5.3.2.1 and by electron microscopy techniques. Our motivation for developing much-needed cross-calibration of synchrotron techniques is borne from coordinated analyses of particles captured in the aerogel of the NASA Stardust Interstellar Dust Collector (SIDC). The Stardust Interstellar Dust Preliminary Examination (ISPE) team have characterized three sub-nanogram, {approx}1{micro}m-sized fragments considered as candidates to be the first contemporary interstellar dust ever collected, based on their chemistries and trajectories. The candidates were analyzed in small wedges of aerogel in which they were extracted from the larger collector, using high sensitivity, high spatial resolution >3 keV synchrotron x-ray fluorescence spectroscopy (SXRF) and <2 keV synchrotron x-ray transmission microscopy (STXM) during Stardust ISPE. The ISPE synchrotron techniques have complementary capabilities. Hard X-ray SXRF is sensitive to sub-fg mass of elements Z {ge} 20 (calcium) and has a spatial resolution as low as 90nm. X-ray Diffraction data were collected simultaneously with SXRF data. Soft X-ray STXM at ALS beamline 11.0.2 can detect fg-mass of most elements, including cosmochemically important oxygen, magnesium, aluminum and silicon, which are invisible to SXRF in this application. ALS beamline 11.0.2 has spatial resolution

  5. Americium characterization by X-ray fluorescence and absorption spectroscopy in plutonium uranium mixed oxide

    SciTech Connect (OSTI)

    Degueldre, Claude Cozzo, Cedric; Martin, Matthias; Grolimund, Daniel; Mieszczynski, Cyprian

    2013-06-01

    Plutonium uranium mixed oxide (MOX) fuels are currently used in nuclear reactors. The actinides in these fuels need to be analyzed after irradiation for assessing their behaviour with regard to their environment and the coolant. In this work the study of the atomic structure and next-neighbour environment of Am in the (Pu,U)O? lattice in an irradiated (60 MW d kg?) MOX sample was performed employing micro-X-ray fluorescence (-XRF) and micro-X-ray absorption fine structure (-XAFS) spectroscopy. The chemical bonds, valences and stoichiometry of Am (~0.66 wt%) are determined from the experimental data gained for the irradiated fuel material examined in its peripheral zone (rim) of the fuel. In the irradiated sample Am builds up as Am? species within an [AmO?]? coordination environment (e.g. >90%) and no (<10%) Am(IV) or (V) can be detected in the rim zone. The occurrence of americium dioxide is avoided by the redox buffering activity of the uranium dioxide matrix. - Graphical abstract: Americium LIII XAFS spectra recorded for the irradiated MOX sub-sample in the rim zone for a 300 ?m300 ?m beam size area investigated over six scans of 4 h. The records remain constant during multi-scan. The analysis of the XAFS signal shows that Am is found as trivalent in the UO? matrix. This analytical work shall open the door of very challenging analysis (speciation of fission product and actinides) in irradiated nuclear fuels. - Highlights: Americium was characterized by microX-ray absorption spectroscopy in irradiated MOX fuel. The americium redox state as determined from XAS data of irradiated fuel material was Am(III). In the sample, the Am? face an AmO??coordination environment in the (Pu,U)O? matrix. The americium dioxide is reduced by the uranium dioxide matrix.

  6. Millisecond Kinetics of Nanocrystal Cation Exchange UsingMicrofluidic X-ray Absorption Spectroscopy

    SciTech Connect (OSTI)

    Chan, Emory M.; Marcus, Matthew A.; Fakra, Sirine; Elnaggar,Mariam S.; Mathies, Richard A.; Alivisatos, A. Paul

    2007-05-07

    We describe the use of a flow-focusing microfluidic reactorto measure the kinetics of theCdSe-to-Ag2Se nanocrystal cation exchangereaction using micro-X-ray absorption spectroscopy (mu XAS). The smallmicroreactor dimensions facilitate the millisecond mixing of CdSenanocrystal and Ag+ reactant solutions, and the transposition of thereaction time onto spatial coordinates enables the in situ observation ofthe millisecond reaction with mu XAS. XAS spectra show the progression ofCdSe nanocrystals to Ag2Se over the course of 100 ms without the presenceof long-lived intermediates. These results, along with supporting stoppedflow absorption experiments, suggest that this nanocrystal cationexchange reaction is highly efficient and provide insight into how thereaction progresses in individual particles. This experiment illustratesthe value and potential of in situ microfluidic X-ray synchrotrontechniques for detailed studies of the millisecond structuraltransformations of nanoparticles and other solution-phase reactions inwhich diffusive mixing initiates changes in local bond structures oroxidation states.

  7. ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectropscopy using IFEFFIT

    SciTech Connect (OSTI)

    Ravel, B.; Newville, M.

    2010-07-20

    A software package for the analysis of X-ray absorption spectroscopy (XAS) data is presented. This package is based on the IFEFFIT library of numerical and XAS algorithms and is written in the Perl programming language using the Perl/Tk graphics toolkit. The programs described here are: (i) ATHENA, a program for XAS data processing, (ii) ARTEMIS, a program for EXAFS data analysis using theoretical standards from FEFF and (iii) HEPHAESTUS, a collection of beamline utilities based on tables of atomic absorption data. These programs enable high-quality data analysis that is accessible to novices while still powerful enough to meet the demands of an expert practitioner. The programs run on all major computer platforms and are freely available under the terms of a free software license.

  8. Correlated Single-Crystal Electronic Absorption Spectroscopy and X-ray Crystallography at NSLS Beamline X26-C

    SciTech Connect (OSTI)

    A Orville; R Buono; M Cowan; A Heroux; G Shea-McCarthy; D Schneider; J Skinner; M Skinner; D Stoner-Ma; R Sweet

    2011-12-31

    The research philosophy and new capabilities installed at NSLS beamline X26-C to support electronic absorption and Raman spectroscopies coupled with X-ray diffraction are reviewed. This beamline is dedicated full time to multidisciplinary studies with goals that include revealing the relationship between the electronic and atomic structures in macromolecules. The beamline instrumentation has been fully integrated such that optical absorption spectra and X-ray diffraction images are interlaced. Therefore, optical changes induced by X-ray exposure can be correlated with X-ray diffraction data collection. The installation of Raman spectroscopy into the beamline is also briefly reviewed. Data are now routinely generated almost simultaneously from three complementary types of experiments from the same sample. The beamline is available now to the NSLS general user population.

  9. A multi-channel monolithic Ge detector system for fluorescence x-ray absorption spectroscopy

    SciTech Connect (OSTI)

    Bucher, J.J.; Allen, P.G.; Edelstein, N.M.; Shuh, D.K.; Madden, N.W.; Cork, C.; Luke, P.; Pehl, D.; Malone, D.

    1995-03-01

    Construction and performance of a monolithic quad-pixel Ge detector for fluorescence x-ray absorption spectroscopy (XAS) at synchrotron radiation sources are described. The detector semiconductor element has an active surface area of 4.0 cm{sup 2} which is electrically separated into four 1.0 cm{sup 2} pixels, with little interfacial dead volume. Spatial response of the array shows that cross-talk between adjacent pixels is < 10% for 5.9 keV photons that fall within 0.5 mm of the pixel boundaries. The detector electronics system uses pre-amplifiers built at LBNL with commercial Tennelec Model TC 244 amplifiers. Using an {sup 55}Fe test source (MnK{sub {alpha}}, 5.9 keV), energy resolution of better than 200 eV is achieved with a 4 {mu}sec peaking time. At 0.5 {mu}sec peaking time, pulse pileup results in a 75% throughput efficiency for an incoming count rate of 100 kHz. Initial XAS fluoresncece measurements at the beamline 4 wiggler end stations at SSRL show that the detector system has several advantages over commercial x-ray spectrometers for low-concentration counting.

  10. Characterization of the Electronic Structure of Silicon Nanoparticles Using X-ray Absorption and Emission

    SciTech Connect (OSTI)

    Vaverka, A M

    2008-07-15

    Resolving open questions regarding transport in nanostructures can have a huge impact on a broad range of future technologies such as light harvesting for energy. Silicon has potential to be used in many of these applications. Understanding how the band edges of nanostructures move as a function of size, surface termination and assembly is of fundamental importance in understanding the transport properties of these materials. In this thesis work I have investigated the change in the electronic structure of silicon nanoparticle assemblies as the surface termination is changed. Nanoparticles are synthesized using a thermal evaporation technique and sizes are determined using atomic force microscopy (AFM). By passivating the particles with molecules containing alcohol groups we are able to modify the size dependent band edge shifts. Both the valence and conduction bands are measured using synchrotron based x-ray absorption spectroscopy (XAS) and soft x-ray fluorescence (SXF) techniques. Particles synthesized via recrystallization of amorphous silicon/SiO{sub 2} multilayers of thicknesses below 10 nm are also investigated using the synchrotron techniques. These samples also show quantum confinement effects but the electronic structure is different from those synthesized via evaporation methods. The total bandgap is determined for all samples measured. The origins of these differences in the electronic structures are discussed.

  11. X-ray absorption spectroscopy of strongly disordered glasses: Local structure around Ag ions in g-Ag{sub 2}O{center_dot}nB{sub 2}O{sub 3}

    SciTech Connect (OSTI)

    Kuzmin, A.; Dalba, G.; Fornasini, P.; Rocca, F.; Sipr, O.

    2006-05-01

    The local structure around Ag ions in silver borate glasses g-Ag{sub 2}O{center_dot}nB{sub 2}O{sub 3} (n=2,4) was studied by x-ray absorption spectroscopy at the Ag K edge for temperatures from 77 to 450 K. Extended x-ray absorption fine structure (EXAFS) analysis based on cumulant expansion or multishell Gaussian model fails for these systems. Therefore, the radial distribution functions (RDFs) around Ag ions were reconstructed using a method based on the direct inversion of the EXAFS expression. The RDFs consist of about eight atoms (oxygens and borons), exhibit a relatively weak temperature dependence, and indicate the presence of strong static disorder. Two main components can be identified in RDFs, located at about 2.3-2.4 A and 2.5-3.4 A, respectively. The chemical types of atoms contributing to the RDF were determined via a simulation of configurationally averaged x-ray absorption near-edge structure (XANES) and EXAFS signals. The immediate neighborhood of Ag contains mostly oxygens while borons dominate at larger distances. The combination of EXAFS and XANES techniques allowed us to determine a more complete structural model than would be possible by relying solely on either EXAFS or XANES alone.

  12. Absorption experiments on x-ray-heated mid-{ital Z} constrained samples

    SciTech Connect (OSTI)

    Perry, T.S.; Springer, P.T.; Fields, D.F.; Bach, D.R.; Serduke, F.J.; Iglesias, C.A.; Rogers, F.J.; Nash, J.K.; Chen, M.H.; Wilson, B.G.; Goldstein, W.H.; Rozsynai, B.; Ward, R.A.; Kilkenny, J.D.; Doyas, R.; Da Silva, L.B.; Back, C.A.; Cauble, R.; Davidson, S.J.; Foster, J.M.; Smith, C.C.; Bar-Shalom, A.; Lee, R.W.

    1996-11-01

    Results of a niobium absorption experiment are presented that represent a major step in the development of techniques necessary for the quantitative characterization of hot, dense matter. The general requirements for performing quantitative analyses of absorption spectra are discussed. Hydrodynamic simulations are used to illustrate the behavior of tamped x-ray-heated matter and to indicate potential two-dimensional problems inherent in the technique. The absorption spectrum of a low-{ital Z} material, in this case aluminum, mixed with niobium provides a temperature diagnostic, which together with radiography as a density diagnostic fully characterizes the sample. A discussion is presented of opacity calculations and a comparison to the measurements is given that illustrates the need for experiments to provide a critical test of theory. The experimental technique is placed in context with a review of previous measurements using absorption spectroscopy to probe hot, dense matter. It is shown that the overall experimental concepts, although understood, were not always achieved in previous experiments. {copyright} {ital 1996 The American Physical Society.}

  13. In Situ Diffuse Reflectance IR Spectroscopy and X-ray Absorption Spectroscopy for Fast Catalytic Processes

    SciTech Connect (OSTI)

    N Marinkovic; Q Wang; A Frenkel

    2011-12-31

    A new instrument for synchronous in situ investigations of catalytic materials by IR and X-ray absorption spectroscopies was designed and built at the X18A beamline of the National Synchrotron Light Source of Brookhaven National Laboratory. It provides analytical tools for solving structural, electronic and kinetic problems in catalysis science by two complementary methods. Among the features attractive for catalysis research are the broad range of catalytically active elements that can be investigated (starting with Ni and beyond), the wide range of reaction conditions (temperatures up to 873 K, various reactive gases) and time scales (starting from tens of seconds). The results of several representative experiments that illustrate the attractive capabilities of the new set-up are discussed.

  14. X-ray Absorption Spectroscopy Beamline at the Siam Photon Laboratory

    SciTech Connect (OSTI)

    Klysubun, Wantana; Tarawarakarn, Pongjakr; Sombunchoo, Panidtha; Klinkhieo, Supat; Chaiprapa, Jitrin; Songsiriritthigul, Prayoon

    2007-01-19

    A bending magnet beamline has been constructed and commissioned for x-ray absorption spectroscopy (XAS) at the Siam Photon Laboratory. The photon energy is tunable from 1830 eV to 8000 eV using a Lemmonier-type, fixed-exit double crystal monochromator equipped with InSb(111), Si(111), Ge(220) crystals. Elemental K-edges are then accessible from silicon to iron. A series of low conductance vacuum tubes has been designed and installed between the pumping chambers in the front end to obtain the proper pressure difference between the upstream and the downstream of the front end. Thus lower-energy photons, around K-edges of silicon, phosphorous, and sulfur, can be delivered to the experimental XAS station without being absorbed by a window. In this report, the design of the beamline is described. The commissioning results including the measured photon flux at sample and experimental XAS spectra are presented.

  15. A doubly curved elliptical crystal spectrometer for the study of localized x-ray absorption in hot plasmas

    SciTech Connect (OSTI)

    Cahill, Adam D. Hoyt, Cad L.; Pikuz, Sergei A.; Shelkovenko, Tania; Hammer, David A.

    2014-10-15

    X-ray absorption spectroscopy is a powerful tool for the diagnosis of plasmas over a wide range of both temperature and density. However, such a measurement is often limited to probing plasmas with temperatures well below that of the x-ray source in order to avoid object plasma emission lines from obscuring important features of the absorption spectrum. This has excluded many plasmas from being investigated by this technique. We have developed an x-ray spectrometer that provides the ability to record absorption spectra from higher temperature plasmas than the usual approach allows without the risk of data contamination by line radiation emitted by the plasma under study. This is accomplished using a doubly curved mica crystal which is bent both elliptically and cylindrically. We present here the foundational work in the design and development of this spectrometer along with initial results obtained with an aluminum x-pinch as the object plasma.

  16. Electronic structure of Al-doped ZnO transparent conductive thin films studied by x-ray absorption and emission spectroscopies

    SciTech Connect (OSTI)

    Huang, W. H.; Sun, S. J.; Chiou, J. W.; Chou, H.; Chan, T. S.; Lin, H.-J.; Kumar, Krishna; Guo, J.-H.

    2011-11-15

    This study used O K-, Zn L{sub 3}-, Zn K-, and Al K-edges x-ray absorption near-edge structure (XANES) and O K-edge x-ray emission spectroscopy (XES) measurements to investigate the electronic structure of transparent Al-doped ZnO (AZO) thin film conductors. The samples were prepared on glass substrates at a low temperature near 77 K by using a standard RF sputtering method. High-purity Ne (5N) was used as the sputtering gas. The crystallography of AZO thin films gradually transformed from the ZnO wurtize structure to an amorphous structure during sample deposition, which suggests the suitability to grow on flexible substrates, eliminating the severe degradation due to fragmentation by repeated bending. The O K- and Zn L{sub 3}-edges XANES spectra of AZO thin films revealed a decrease in the number of both O 2p and Zn 3d unoccupied states when the pressure of Ne was increased from 5 to 100 mTorr. In contrast, Al K-edges XANES spectra showed that the number of unoccupied states of Al 3p increased in conjunction with the pressure of Ne, indicating an electron transfer from Al to O atoms, and suggesting that Al doping increases the negative effective charge of oxygen ions. XES and XANES spectra of O 2p states at the O K-edge also revealed that Al doping not only raised the conduction-band-minimum, but also increased the valence-band-maximum and the band-gap. The results indicate that the reduction in conductivity of AZO thin films is due to the generation of ionic characters, the increase in band-gap, and the decrease in density of unoccupied states of oxygen.

  17. HELIUM IN NATAL H II REGIONS: THE ORIGIN OF THE X-RAY ABSORPTION IN GAMMA-RAY BURST AFTERGLOWS

    SciTech Connect (OSTI)

    Watson, Darach; Andersen, Anja C.; Fynbo, Johan P. U.; Hjorth, Jens; Kruehler, Thomas; Laursen, Peter; Leloudas, Giorgos; Malesani, Daniele [Dark Cosmology Centre, Niels Bohr Institute, University of Copenhagen, Juliane Maries Vej 30, DK-2100 Copenhagen O (Denmark); Zafar, Tayyaba [Laboratoire d'Astrophysique de Marseille - LAM, Universite Aix-Marseille and CNRS, UMR 7326, 38 rue F. Joliot-Curie, F-13388, Marseille Cedex 13 (France); Gorosabel, Javier [Instituto de Astrofisica de Andalucia (IAA-CSIC), Glorieta de la Astronomia s/n, E-18008, Granada (Spain); Jakobsson, Pall, E-mail: darach@dark-cosmology.dk [Centre for Astrophysics and Cosmology, Science Institute, University of Iceland, Dunhagi 5, 107 Reykjavik (Iceland)

    2013-05-01

    Soft X-ray absorption in excess of Galactic is observed in the afterglows of most gamma-ray bursts (GRBs), but the correct solution to its origin has not been arrived at after more than a decade of work, preventing its use as a powerful diagnostic tool. We resolve this long-standing problem and find that absorption by He in the GRB's host H II region is responsible for most of the absorption. We show that the X-ray absorbing column density (N{sub H{sub X}}) is correlated with both the neutral gas column density and with the optical afterglow's dust extinction (A{sub V} ). This correlation explains the connection between dark bursts and bursts with high N{sub H{sub X}} values. From these correlations, we exclude an origin of the X-ray absorption which is not related to the host galaxy, i.e., the intergalactic medium or intervening absorbers are not responsible. We find that the correlation with the dust column has a strong redshift evolution, whereas the correlation with the neutral gas does not. From this, we conclude that the column density of the X-ray absorption is correlated with the total gas column density in the host galaxy rather than the metal column density, in spite of the fact that X-ray absorption is typically dominated by metals. The strong redshift evolution of N{sub H{sub X}}/A{sub V} is thus a reflection of the cosmic metallicity evolution of star-forming galaxies and we find it to be consistent with measurements of the redshift evolution of metallicities for GRB host galaxies. We conclude that the absorption of X-rays in GRB afterglows is caused by He in the H II region hosting the GRB. While dust is destroyed and metals are stripped of all of their electrons by the GRB to great distances, the abundance of He saturates the He-ionizing UV continuum much closer to the GRB, allowing it to remain in the neutral or singly-ionized state. Helium X-ray absorption explains the correlation with total gas, the lack of strong evolution with redshift, as well

  18. Finite temperature effects on the X-ray absorption spectra of lithium compounds: First-principles interpretation of X-ray Raman measurements

    SciTech Connect (OSTI)

    Pascal, Tod A.; Prendergast, David; Boesenberg, Ulrike; Kostecki, Robert; Richardson, Thomas J.; Weng, Tsu-Chien; Sokaras, Dimosthenis; Nordlund, Dennis; McDermott, Eamon; Moewes, Alexander; Cabana, Jordi

    2014-01-21

    We elucidate the role of room-temperature-induced instantaneous structural distortions in the Li K-edge X-ray absorption spectra (XAS) of crystalline LiF, Li{sub 2}SO{sub 4}, Li{sub 2}O, Li{sub 3}N, and Li{sub 2}CO{sub 3} using high resolution X-ray Raman spectroscopy (XRS) measurements and first-principles density functional theory calculations within the eXcited electron and Core Hole approach. Based on thermodynamic sampling via ab initio molecular dynamics simulations, we find calculated XAS in much better agreement with experiment than those computed using the rigid crystal structure alone. We show that local instantaneous distortion of the atomic lattice perturbs the symmetry of the Li 1s core-excited-state electronic structure, broadening spectral line-shapes and, in some cases, producing additional spectral features. The excellent agreement with high-resolution XRS measurements validates the accuracy of our first-principles approach to simulating XAS, and provides both accurate benchmarks for model compounds and a predictive theoretical capability for identification and characterization of multi-component systems, such as lithium-ion batteries, under working conditions.

  19. Local electronic states of Fe{sub 4}N films revealed by x-ray absorption spectroscopy and x-ray magnetic circular dichroism

    SciTech Connect (OSTI)

    Ito, Keita; Toko, Kaoru; Suemasu, Takashi; Takeda, Yukiharu; Saitoh, Yuji; Oguchi, Tamio; Kimura, Akio

    2015-05-21

    We performed x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) measurements at Fe L{sub 2,3} and N K-edges for Fe{sub 4}N epitaxial films grown by molecular beam epitaxy. In order to clarify the element specific local electronic structure of Fe{sub 4}N, we compared experimentally obtained XAS and XMCD spectra with those simulated by a combination of a first-principles calculation and Fermi's golden rule. We revealed that the shoulders observed at Fe L{sub 2,3}-edges in the XAS and XMCD spectra were due to the electric dipole transition from the Fe 2p core-level to the hybridization state generated by ?* anti-bonding between the orbitals of N 2p at the body-centered site and Fe 3d on the face-centered (II) sites. Thus, the observed shoulders were attributed to the local electronic structure of Fe atoms at II sites. As to the N K-edge, the line shape of the obtained spectra was explained by the dipole transition from the N 1s core-level to the hybridization state formed by ?* and ?* anti-bondings between the Fe 3d and N 2p orbitals. This hybridization plays an important role in featuring the electronic structures and physical properties of Fe{sub 4}N.

  20. Effect of Biogeochemical Redox Processes on the Fate and Transport of As and U at an Abandoned Uranium Mine Site: an X-ray Absorption Spectroscopy Study

    SciTech Connect (OSTI)

    Troyer, Lyndsay D.; Stone, James J.; Borch, Thomas

    2014-01-28

    Although As can occur in U ore at concentrations up to 10 wt-%, the fate and transport of both U and As at U mine tailings have not been previously investigated at a watershed scale. The major objective of this study was to determine primary chemical and physical processes contributing to transport of both U and As to a down gradient watershed at an abandoned U mine site in South Dakota. Uranium is primarily transported by erosion at the site, based on decreasing concentrations in sediment with distance from the tailings. equential extractions and U X-ray absorption near-edge fine structure (XANES) fitting indicate that U is immobilised in a near-source sedimentation pond both by prevention of sediment transport and by reduction of UVI to UIV. In contrast to U, subsequent release of As to the watershed takes place from the pond partially due to reductive dissolution of Fe oxy(hydr)oxides. However, As is immobilised by adsorption to clays and Fe oxy(hydr)oxides in oxic zones and by formation of Assulfide mineral phases in anoxic zones down gradient, indicated by sequential extractions and As XANES fitting. This study indicates that As should be considered during restoration of uranium mine sites in order to prevent transport.

  1. Simulating Cl K-edge X-ray absorption spectroscopy in MCl62-...

    Office of Scientific and Technical Information (OSTI)

    using time-dependent density functional theory Citation Details In-Document Search ... using time-dependent density functional theory We report simulations of the X-ray ...

  2. Correlation between Active Center Structure and Enhanced Dioxygen Binding in Co(salen) Nanoparticles: Characterization by In Situ Infrared, Raman, and X-ray Absorption Spectroscopies

    SciTech Connect (OSTI)

    Johnson,C.; Long, B.; Nguyen, J.; Day, V.; Borovik, A.; Subramaniam, B.; Guzman, J.

    2008-01-01

    The structure and ligand environment of Co(salen) nanoparticles and unprocessed Co(salen) have been determined by the combined application of infrared, Raman, X-ray absorption near edge structure (XANES), and extended X-ray absorption fine structure (EXAFS) spectroscopies, and X-ray diffraction (XRD) experiments before and during interaction with O2. The Co(salen) nanoparticles were prepared by the precipitation with compressed antisolvent (PCA) technique using commercially obtained Co(salen) [denoted as unprocessed Co(salen)] as the parent compound. The unprocessed Co(salen) particles exist as dimer species with a square-pyramidal coordination geometry that display no measurable O2 binding at room temperature. In sharp contrast, the Co(salen) nanoparticles show near-stoichiometric O2 adsorption, as demonstrated by microbalance gas binding experiments. The spectroscopy results indicate the presence of CoII centers with distorted tetrahedral geometry in the Co(salen) nanoparticles with no evidence of metallic Co clusters, confirmed by the lack of Co-Co contributions at bonding distances in the EXAFS spectra and the presence of characteristic features of CoII in the XANES spectra. The EXAFS data also indicate that there are on average two Co-N and two Co-O bonds with a distance of 1.81 {+-} 0.02 and 1.90 {+-} 0.02 Angstroms, respectively, consistent with typical metal salen structures. Upon O2 binding on the Co(salen) nanoparticles, the XANES results indicate oxidation of the CoII to CoIII, consistent with the vibrational data showing new bands associated with oxygen species bonded to Co centers and the increase in the oxygen coordination number from 1.8 to 2.9 in the EXAFS data. The results indicate that the enhanced O2 binding properties of Co(salen) nanoparticles are related to the unique distorted tetrahedral geometry, which is not observed in the unprocessed samples that contain mainly dimers with square planar geometry. The results presented here provide a

  3. X-ray absorption fine structure spectroscopic study of uranium nitrides

    SciTech Connect (OSTI)

    Poineau, Frederic; Yeamans, Charles B.; Cerefice, Gary S.; Sattelberger, Alfred P; Czerwinski, Ken R.

    2012-01-01

    Uranium mononitride (UN), sesquinitride (U2N3) and dinitride (UN2) were characterized by extended X-Ray absorption fine structure spectroscopy. Analysis on UN indicate the presence of three uranium shells at distances of 3.46(3), 4.89(5) and 6.01(6) A and a nitrogen shell at a distance of 2.46(2) A . For U2N3, two absorbing uranium atoms at different crystallographic positions are present in the structure. One of the uranium atoms is surrounded by nitrogen atoms at 2.28(2) A and by uranium atoms at 3.66(4) and 3.95(4) A . The second type of uranium atom is surrounded by nitrogen atoms at 2.33(2) and 2.64(3) A and by uranium atoms at 3.66(4), 3.95(4) and 5.31(5) A . Results on UN2 indicate two uranium shells at 3.71(4) and 5.32(5) A and two nitrogen shells at 2.28(2).

  4. X-ray Absorption Spectroscopy Characterization of a Li/S Cell

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ye, Yifan; Kawase, Ayako; Song, Min-Kyu; Feng, Bingmei; Liu, Yi-Sheng; Marcus, Matthew A.; Feng, Jun; Cairns, Elton J.; Guo, Jinghua; Zhu, Junfa

    2016-01-11

    The X-ray absorption spectroscopy technique has been applied to study different stages of the lithium/sulfur (Li/S) cell life cycle. We investigated how speciation of S in Li/S cathodes changes upon the introduction of CTAB (cetyltrimethylammonium bromide, CH3(CH2)15N+(CH3)3Br₋) and with charge/discharge cycling. The introduction of CTAB changes the synthesis reaction pathway dramatically due to the interaction of CTAB with the terminal S atoms of the polysulfide ions in the Na2Sx solution. For the cycled Li/S cell, the loss of electrochemically active sulfur and the accumulation of a compact blocking insulating layer of unexpected sulfur reaction products on the cathode surface duringmore » the charge/discharge processes make the capacity decay. Lastly, a modified coin cell and a vacuum-compatible three-electrode electro-chemical cell have been introduced for further in-situ/in-operando studies.« less

  5. X-ray absorption spectroscopic studies of the active sites of nickel- and copper-containing metalloproteins

    SciTech Connect (OSTI)

    Tan, G.O.

    1993-06-01

    X-ray absorption spectroscopy (XAS) is a useful tool for obtaining structural and chemical information about the active sites of metalloproteins and metalloenzymes. Information may be obtained from both the edge region and the extended X-ray absorption fine structure (EXAFS) or post-edge region of the K-edge X-ray absorption spectrum of a metal center in a compound. The edge contains information about the valence electronic structure of the atom that absorbs the X-rays. It is possible in some systems to infer the redox state of the metal atom in question, as well as the geometry and nature of ligands connected to it, from the features in the edge in a straightforward manner. The EXAFS modulations, being produced by the backscattering of the ejected photoelectron from the atoms surrounding the metal atom, provide, when analyzed, information about the number and type of neighbouring atoms, and the distances at which they occur. In this thesis, analysis of both the edge and EXAFS regions has been used to gain information about the active sites of various metalloproteins. The metalloproteins studied were plastocyanin (Pc), laccase and nickel carbon monoxide dehydrogenase (Ni CODH). Studies of Cu(I)-imidazole compounds, related to the protein hemocyanin, are also reported here.

  6. X-ray absorption spectroscopy of aluminum z-pinch plasma with tungsten backlighter planar wire array source

    SciTech Connect (OSTI)

    Osborne, G. C.; Kantsyrev, V. L.; Safronova, A. S.; Esaulov, A. A.; Weller, M. E.; Shrestha, I.; Shlyaptseva, V. V.; Ouart, N. D.

    2012-10-15

    Absorption features from K-shell aluminum z-pinch plasmas have recently been studied on Zebra, the 1.7 MA pulse power generator at the Nevada Terawatt Facility. In particular, tungsten plasma has been used as a semi-backlighter source in the generation of aluminum K-shell absorption spectra by placing a single Al wire at or near the end of a single planar W array. All spectroscopic experimental results were recorded using a time-integrated, spatially resolved convex potassium hydrogen phthalate (KAP) crystal spectrometer. Other diagnostics used to study these plasmas included x-ray detectors, optical imaging, laser shadowgraphy, and time-gated and time-integrated x-ray pinhole imagers. Through comparisons with previous publications, Al K-shell absorption lines are shown to be from much lower electron temperature ({approx}10-40 eV) plasmas than emission spectra ({approx}350-500 eV).

  7. X-ray absorption and electrochemical studies of direct methanol fuel cell catalysts

    SciTech Connect (OSTI)

    Zurawski, D.J.; Aldykiewicz, A.J. Jr.; Baxter, S.F.; Krumpelt, M.

    1996-12-31

    In order for polymer electrolyte fuel cells to operate directly on methanol instead of hydrogen, a distinct advantage for portable applications, methanol oxidation must be catalyzed effectively in the acidic environment of the cell. Platinum-ruthenium and platinum-ruthenium oxide are generally considered to be the most active catalysts for this purpose. The presence of ruthenium significantly enhances the activity of platinum in these catalysts, for reasons not yet fully understood. We are using X-ray absorption spectroscopy (XAS) and electrochemical techniques to evaluate the mechanisms proposed to account for this enhancement in order to further improve the catalyst`s activity. We are considering three enhancement mechanisms. An intermediate in the oxidation of methanol on platinum is carbon monoxide and its oxidation is the rate-determining step in the overall oxidation mechanism. It has been proposed that ruthenium facilitates the removal of carbon monoxide from the platinum surface. First, it has been proposed that ruthenium decreases the strength of the platinum-carbon monoxide bond. Carbon monoxide bonds to the catalyst by interacting with the d-band of platinum, therefore a change in the d-band occupancy of platinum as a result of alloying may influence the bond strength of carbon monoxide. Another proposed enhancement mechanism involves lowering of the potential for the formation of the CO-oxidizing species. Finally, the binary catalysts may have a structure which is more conducive to the methanol dehydrogenation and carbon monoxide reactions. Based on these three proposed enhancement mechanisms, a goal of this study is to correlate catalyst electronic properties, structure, and oxidation state with the performance of proton-exchange membrane (Nafion) direct methanol fuel cells.

  8. First-principles calculation of principal Hugoniot and K-shell X-ray absorption spectra for warm dense KCl

    SciTech Connect (OSTI)

    Zhao, Shijun; Zhang, Shen; Kang, Wei; Li, Zi; Zhang, Ping; He, Xian-Tu

    2015-06-15

    Principal Hugoniot and K-shell X-ray absorption spectra of warm dense KCl are calculated using the first-principles molecular dynamics (FPMD) method. Evolution of electronic structures as well as the influence of the approximate description of ionization on pressure (caused by the underestimation of the energy gap between conduction bands and valence bands) in the first-principles method are illustrated by the calculation. It is shown that approximate description of ionization in FPMD has small influence on Hugoniot pressure due to mutual compensation of electronic kinetic pressure and virial pressure. The calculation of X-ray absorption spectra shows that the band gap of KCl persists after the pressure ionization of the 3p electrons of Cl and K taking place at lower energy, which provides a detailed understanding to the evolution of electronic structures of warm dense matter.

  9. Operando X-ray absorption and EPR evidence for a single electron redox process in copper catalysis

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lu, Qingquan; Zhang, Jian; Peng, Pan; Zhang, Guanghui; Huang, Zhiliang; Yi, Hong; Miller, Jeffrey T.; Lei, Aiwen

    2015-05-26

    An unprecedented single electron redox process in copper catalysis is confirmed using operando X-ray absorption and EPR spectroscopies. The oxidation state of the copper species in the interaction between Cu(II) and a sulfinic acid at room temperature, and the accurate characterization of the formed Cu(I) are clearly shown using operando X-ray absorption and EPR evidence. Further investigation of anion effects on Cu(II) discloses that bromine ions can dramatically increase the rate of the redox process. Moreover, it is proven that the sulfinic acids are converted into sulfonyl radicals, which can be trapped by 2-arylacrylic acids and various valuable β-keto sulfonesmore » are synthesized with good to excellent yields under mild conditions.« less

  10. Operando X-ray absorption and EPR evidence for a single electron redox process in copper catalysis

    SciTech Connect (OSTI)

    Lu, Qingquan; Zhang, Jian; Peng, Pan; Zhang, Guanghui; Huang, Zhiliang; Yi, Hong; Miller, Jeffrey T.; Lei, Aiwen

    2015-05-26

    An unprecedented single electron redox process in copper catalysis is confirmed using operando X-ray absorption and EPR spectroscopies. The oxidation state of the copper species in the interaction between Cu(II) and a sulfinic acid at room temperature, and the accurate characterization of the formed Cu(I) are clearly shown using operando X-ray absorption and EPR evidence. Further investigation of anion effects on Cu(II) discloses that bromine ions can dramatically increase the rate of the redox process. Moreover, it is proven that the sulfinic acids are converted into sulfonyl radicals, which can be trapped by 2-arylacrylic acids and various valuable β-keto sulfones are synthesized with good to excellent yields under mild conditions.

  11. Voltage-controlled magnetic anisotropy in Fe|MgO tunnel junctions studied by x-ray absorption spectroscopy

    SciTech Connect (OSTI)

    Miwa, Shinji Matsuda, Kensho; Tanaka, Kazuhito; Goto, Minori; Suzuki, Yoshishige; Kotani, Yoshinori; Nakamura, Tetsuya

    2015-10-19

    In this study, voltage-controlled magnetic anisotropy (VCMA) in Fe|MgO tunnel junctions was investigated via the magneto-optical Kerr effect, soft x-ray absorption spectroscopy, and magnetic circular dichroism spectroscopy. The Fe|MgO tunnel junctions showed enhanced perpendicular magnetic anisotropy under external negative voltage, which induced charge depletion at the Fe|MgO interface. Despite the application of voltages of opposite polarity, no trace of chemical reaction such as a redox reaction attributed to O{sup 2−} migration was detected in the x-ray absorption spectra of the Fe. The VCMA reported in the Fe|MgO-based magnetic tunnel junctions must therefore originate from phenomena associated with the purely electric effect, that is, surface electron doping and/or redistribution induced by an external electric field.

  12. X-Ray Absorption Studies of Vanadium-Containing Metal Oxide Nanocrystals

    SciTech Connect (OSTI)

    Hohn, Keith, L.

    2006-01-09

    Metal oxide nanocrystals offer significant potential for use as catalysts or catalyst supports due to their high surface areas and unique chemical properties that result from the high number of exposed corners and edges. However, little is known about the catalytic activity of these materials, especially as oxidation catalysts. This research focused on the preparation, characterization and use of vanadium-containing nanocrystals as selective oxidation catalysts. Three vanadium-containing nanocrystals were prepared using a modified sol-gel procedure: V/MgO, V/SiO2, and vanadium phosphate (VPO). These represent active oxidation catalysts for a number of industrially relevant reactions. The catalysts were characterized by x-ray diffraction and Raman, UV-VIS, infrared and x-ray absorption spectroscopies with the goal of determining the primary structural and chemical differences between nanocrystals and microcrystals. The catalytic activity of these catalysts was also studied in oxidative dehydrogenation of butane and methanol oxidation to formaldehyde. V/MgO nanocrystals were investigated for activity in oxidative dehydrogenation of butane and compared to conventional V/MgO catalysts. Characterization of V/MgO catalysts using Raman spectroscopy and x-ray absorption spectroscopy showed that both types of catalysts contained magnesium orthovanadate at vanadium loadings below 15 weight%, but above that loading, magnesium pyrovanadate may have been present. In general, MgO nanocrystals had roughly half the crystal size and double the surface area of the conventional MgO. In oxidative dehydrogenation of butane, nanocrystalline V/MgO gave higher selectivity to butene than conventional V/MgO at the same conversion. This difference was attributed to differences in vanadium domain size resulting from the higher surface areas of the nanocrystalline support, since characterization suggested that similar vanadium phases were present on both types of catalysts. Experiments in

  13. X-ray absorption and resonant inelastic x-ray scattering (RIXS) show the presence of Cr{sup +} at the surface and in the bulk of CrF{sub 2}

    SciTech Connect (OSTI)

    Jiménez-Mier, J.; Olalde-Velasco, P.; Yang, W.-L.; Denlinger, J.

    2015-07-23

    X-Ray absorption and resonant inelastic x-ray scattering (RIXS) spectra of CrF{sub 2} recorded at the chromium L{sub 2,3} are presented. An atomic multiplet crystal field calculation is compared with the experimental data. Experiment and theory are in agreement once the calculation includes three chromium oxidation states, namely Cr{sup +}, Cr{sup 2+}, and Cr{sup 3+}. X-Ray absorption allows a direct determination of the surface oxidation, while the RIXS spectra shows the presence of these three oxidation states in the sample bulk. To give a quantitative interpretation of the RIXS data the effect of the incomming and outgoing photon penetration depth and self-absorption must be considered. For the much simpler case of MnF{sub 2}, with only one metal oxidation state, the measured RIXS spectra relative intensities are found to be proportional to the square of the sample attenuation length.

  14. Theoretical study of Raman chirped adiabatic passage by X-ray absorption spectroscopy: Highly excited electronic states and rotational effects

    SciTech Connect (OSTI)

    Engin, Selma; Sisourat, Nicolas Selles, Patricia; Taïeb, Richard; Carniato, Stéphane

    2014-06-21

    Raman Chirped Adiabatic Passage (RCAP) is an efficient method to climb the vibrational ladder of molecules. It was shown on the example of fixed-in-space HCl molecule that selective vibrational excitation can thus be achieved by RCAP and that population transfer can be followed by X-ray Photoelectron spectroscopy [S. Engin, N. Sisourat, P. Selles, R. Taïeb, and S. Carniato, Chem. Phys. Lett. 535, 192–195 (2012)]. Here, in a more detailed analysis of the process, we investigate the effects of highly excited electronic states and of molecular rotation on the efficiency of RCAP. Furthermore, we propose an alternative spectroscopic way to monitor the transfer by means of X-ray absorption spectra.

  15. Ligand-field symmetry effects in Fe(II) polypyridyl compounds probed by transient X-ray absorption spectroscopy

    SciTech Connect (OSTI)

    Cho, Hana; Strader, Matthew L.; Hong, Kiryong; Jamula, Lindsey; Kim, Tae Kyu; Groot, Frank M. F. de; McCusker, James K.; Schoenlein, Robert W.; Huse, Nils

    2012-02-28

    Ultrafast excited-state evolution in polypyridyl FeII complexes are of fundamental interest for understanding the origins of the sub-ps spin-state changes that occur upon photoexcitation of this class of compounds as well as for the potential impact such ultrafast dynamics have on incorporation of these compounds in solar energy conversion schemes or switchable optical storage technologies. We have demonstrated that ground-state and, more importantly, ultrafast time-resolved x-ray absorption methods can offer unique insights into the interplay between electronic and geometric structure that underpin the photo-induced dynamics of this class of compounds. The present contribution examines in greater detail how the symmetry of the ligand field surrounding the metal ion can be probed using these x-ray techniques. In particular, we show that steady-state K-edge spectroscopy of the nearest-neighbour nitrogen atoms reveals the characteristic chemical environment of the respective ligands and suggests an interesting target for future charge-transfer femtosecond and attosecond spectroscopy in the x-ray water window.

  16. Core and Valence Excitations in Resonant X-ray Spectroscopy using Restricted Excitation Window Time-dependent Density Functional Theory

    SciTech Connect (OSTI)

    Zhang, Yu; Biggs, Jason D.; Healion, Daniel; Govind, Niranjan; Mukamel, Shaul

    2012-11-21

    We report simulations of X-ray absorption near edge structure (XANES), resonant inelastic X-ray scattering (RIXS) and 1D stimulated X-ray Raman spectroscopy (SXRS) signals of cysteine at the oxygen, nitrogen and sulfur K and L2,3 edges. The simulated XANES signals from the restricted window time-dependent density functional theory (REW-TDDFT) and the static exchange (STEX) method are compared with experiments, showing that REW-TDDFT is more accurate and computationally less expensive than STEX. Simulated RIXS and 1D SXRS signals from REW-TDDFT give some insights on the correlation of different excitations in the molecule.

  17. High energy resolution five-crystal spectrometer for high quality fluorescence and absorption measurements on an x-ray absorption spectroscopy beamline

    SciTech Connect (OSTI)

    Llorens, Isabelle; Lahera, Eric; Delnet, William; Proux, Olivier; Dermigny, Quentin; Gelebart, Frederic; Morand, Marc; Shukla, Abhay; Bardou, Nathalie; Ulrich, Olivier; and others

    2012-06-15

    Fluorescence detection is classically achieved with a solid state detector (SSD) on x-ray absorption spectroscopy (XAS) beamlines. This kind of detection however presents some limitations related to the limited energy resolution and saturation. Crystal analyzer spectrometers (CAS) based on a Johann-type geometry have been developed to overcome these limitations. We have tested and installed such a system on the BM30B/CRG-FAME XAS beamline at the ESRF dedicated to the structural investigation of very dilute systems in environmental, material and biological sciences. The spectrometer has been designed to be a mobile device for easy integration in multi-purpose hard x-ray synchrotron beamlines or even with a laboratory x-ray source. The CAS allows to collect x-ray photons from a large solid angle with five spherically bent crystals. It will cover a large energy range allowing to probe fluorescence lines characteristic of all the elements from Ca (Z = 20) to U (Z = 92). It provides an energy resolution of 1-2 eV. XAS spectroscopy is the main application of this device even if other spectroscopic techniques (RIXS, XES, XRS, etc.) can be also achieved with it. The performances of the CAS are illustrated by two experiments that are difficult or impossible to perform with SSD and the complementarity of the CAS vs SSD detectors is discussed.

  18. In operando observation system for electrochemical reaction by soft X-ray absorption spectroscopy with potential modulation method

    SciTech Connect (OSTI)

    Nagasaka, Masanari Kosugi, Nobuhiro; Yuzawa, Hayato; Horigome, Toshio

    2014-10-15

    In order to investigate local structures of electrolytes in electrochemical reactions under the same scan rate as a typical value 100 mV/s in cyclic voltammetry (CV), we have developed an in operando observation system for electrochemical reactions by soft X-ray absorption spectroscopy (XAS) with a potential modulation method. XAS spectra of electrolytes are measured by using a transmission-type liquid flow cell with built-in electrodes. The electrode potential is swept with a scan rate of 100 mV/s at a fixed photon energy, and soft X-ray absorption coefficients at different potentials are measured at the same time. By repeating the potential modulation at each fixed photon energy, it is possible to measure XAS of electrochemical reaction at the same scan rate as in CV. We have demonstrated successful measurement of the Fe L-edge XAS spectra of aqueous iron sulfate solutions and of the change in valence of Fe ions at different potentials in the Fe redox reaction. The mechanism of these Fe redox processes is discussed by correlating the XAS results with those at different scan rates.

  19. Molecular orientation in soft matter thin films studied by resonant soft X-ray reflectivity

    SciTech Connect (OSTI)

    Mezger, Markus; Jerome, Blandine; Kortright, Jeffrey B.; Valvidares, Manuel; Gullikson, Eric; Giglia, Angelo; Mahne, Nicola; Nannarone, Stefano

    2011-01-12

    We present a technique to study depth profiles of molecular orientation in soft matter thin films with nanometer resolution. The method is based on dichroism in resonant soft X-ray reflectivity using linear s- and p-polarization. It combines the chemical sensitivity of Near-Edge X-ray Absorption Fine Structure spectroscopy to specific molecular bonds and their orientation relative to the polarization of the incident beam with the precise depth profiling capability of X-ray reflectivity. We demonstrate these capabilities on side chain liquid crystalline polymer thin films with soft X-ray reflectivity data at the carbon K edge. Optical constants of the anisotropic refractive index ellipsoid were obtained from a quantitative analysis using the Berreman formalism. For films up to 50 nm thickness we find that the degree of orientation of the long axis exhibits no depth variation and isindependent of the film thickness.

  20. Molecular orientation in soft matter thin films studied by resonant soft x-ray reflectivity

    SciTech Connect (OSTI)

    Mezger, Markus; Jerome, Blandine; Kortright, Jeffrey B; Valvidares, Manuel; Gullikson, Eric M; Giglia, Angelo; Mahne, Nicola; Nannarone, Stefano

    2011-04-05

    We present a technique to study depth profiles of molecular orientation in soft matter thin films with nanometer resolution. The method is based on dichroism in resonant soft x-ray reflectivity using linear s and p polarization. It combines the chemical sensitivity of near-edge x-ray absorption fine structure spectroscopy to specific molecular bonds and their orientation relative to the polarization of the incident beam with the precise depth profiling capability of x-ray reflectivity. We demonstrate these capabilities on side chain liquid crystalline polymer thin films with soft x-ray reflectivity data at the carbon K edge. Optical constants of the anisotropic refractive index ellipsoid were obtained from a quantitative analysis using the Berreman formalism. For films up to 50 nm thickness we find that the degree of orientation of the long axis exhibits no depth variation and is independent of the film thickness.

  1. X-ray absorption fine structure (XAFS) analyses of Ni species trapped in graphene sheet of carbon nanofibers

    SciTech Connect (OSTI)

    Ushiro, Mayuko; Uno, Kanae; Fujikawa, Takashi; Sato, Yoshinori; Tohji, Kazuyuki; Watari, Fumio; Chun, W.-J.; Koike, Yuichiro; Asakura, Kiyotaka

    2006-04-01

    Metal impurities in the carbon nanotubes and carbon nanofibers play an important role in understanding their physical and chemical properties. We apply the Ni K-edge x-ray absorption fine structure analyses to the local electronic and geometric structures around embedded Ni impurities used as catalysts in a carbon nanofiber in combination with multiple scattering analyses. We find almost Ni catalysts as metal particles are removed by the purification treatment. Even after the purification, residual 100 ppm Ni species are still absorbed; most of them are in monomer structure with Ni-C bond length 1.83 A, and each of them is substituted for a carbon atom in a graphene sheet.

  2. In-situ extended X-ray absorption fine structure study of electrostriction in Gd doped ceria

    SciTech Connect (OSTI)

    Korobko, Roman; Wachtel, Ellen; Lubomirsky, Igor; Lerner, Alyssa; Li, Yuanyuan; Frenkel, Anatoly I.

    2015-01-26

    Studying electric field-induced structural changes in ceramics is challenging due to the very small magnitude of the atomic displacements. We used differential X-ray absorption spectroscopy, an elementally specific and spatially sensitive method, to detect such changes in Gd-doped ceria, recently shown to exhibit giant electrostriction. We found that the large electrostrictive stress generation can be associated with a few percent of unusually short Ce-O chemical bonds that change their length and degree of order under an external electric field. The remainder of the lattice is reduced to the role of passive spectator. This mechanism is fundamentally different from that in electromechanically active materials currently in use.

  3. Neutral hydrogen absorption by galaxies and implications for the soft X-ray background

    SciTech Connect (OSTI)

    Corbelli, E.; Schneider, S.E. Massachusetts Univ., Amherst )

    1990-06-01

    Results are presented from a search for neutral hydrogen absorption in the 21-cm spectra of 59 radio continuum sources in the proximity of spiral and lenticular galaxies using the Arecibo radio telescope. Five galaxies showed possible but uncertain absorption. For the 54 other sources, the column density of the neutral hydrogen in the intervening material is well below 2 x 10 to the 19th/cu cm or the spin temperature is at least one order of magnitude above the microwave background temperature. For these cases, subthermal effects are not hiding appreciable amounts of neutral hydrogen. 47 refs.

  4. MAGNETOHYDRODYNAMIC MODELING OF THE ACCRETION SHOCKS IN CLASSICAL T TAURI STARS: THE ROLE OF LOCAL ABSORPTION IN THE X-RAY EMISSION

    SciTech Connect (OSTI)

    Bonito, R.; Argiroffi, C.; Peres, G. [Dip. di Fisica e Chimica, Universit di Palermo, P.zza del Parlamento 1, I-90134 Palermo (Italy); Orlando, S.; Miceli, M.; Ibgui, L. [INAF-Osservatorio Astronomico di Palermo, P.zza del Parlamento 1, I-90134 Palermo (Italy); Matsakos, T. [Department of Astronomy and Astrophysics, The University of Chicago, Chicago, IL 60637 (United States); Stehle, C., E-mail: sbonito@astropa.unipa.it [LERMA, Observatoire de Paris, Universit Pierre et Marie Curie, Ecole Normale Superieure, Universite Cergy-Pontoise, CNRS, F-75014 Paris (France)

    2014-11-10

    We investigate the properties of X-ray emission from accretion shocks in classical T Tauri stars (CTTSs), generated where the infalling material impacts the stellar surface. Both observations and models of the accretion process reveal several aspects that are still unclear: the observed X-ray luminosity in accretion shocks is below the predicted value, and the density versus temperature structure of the shocked plasma, with increasing densities at higher temperature, deduced from the observations, is at odds with that proposed in the current picture of accretion shocks. To address these open issues, we investigate whether a correct treatment of the local absorption by the surrounding medium is crucial to explain the observations. To this end, we describe the impact of an accretion stream on a CTTS by considering a magnetohydrodynamic model. From the model results, we synthesize the X-ray emission from the accretion shock by producing maps and spectra. We perform density and temperature diagnostics on the synthetic spectra, and we directly compare the results with observations. Our model shows that the X-ray fluxes inferred from the emerging spectra are lower than expected because of the complex local absorption by the optically thick material of the chromosphere and of the unperturbed stream. Moreover, our model, including the effects of local absorption, explains in a natural way the apparently puzzling pattern of density versus temperature observed in the X-ray emission from accretion shocks.

  5. Neutron diffraction and X-ray absorption study of Ag{sub 5}Pb{sub 2}O{sub 6}

    SciTech Connect (OSTI)

    Yoshii, K. Mizumaki, M.; Kato, K.; Uruga, T.; Abe, H.; Nakamura, A.; Shimojo, Y.; Ishii, Y.; Morii, Y.

    2007-01-15

    Neutron diffraction and X-ray absorption measurements were carried out for a silver-lead oxide Ag{sub 5}Pb{sub 2}O{sub 6}. The powder neutron diffraction patterns could be fitted to the trigonal P3-bar 1m structure, as was found by X-ray diffraction. From the bond-valence-sum (BVS) analysis, the valences of the Ag and Pb ions were estimated to be about 1+ and 3.7+, respectively. The X-ray absorption measurements indicated that the ionic state of Ag is close to 1+, while that of Pb stands between 3+ and 4+. The deviation of the valence of the Pb ion from 4+ suggests a contribution of Pb orbitals to the metallic conduction as well as the possible superconductivity of this material, consistently with a recent band-structure calculation.

  6. Probing the Electronic Structure of a Photoexcited Solar Cell Dye with Transient X-ray Absorption Spectroscopy

    SciTech Connect (OSTI)

    Kuiken, Benjamin E. Van; Huse, Nils; Cho, Hana; Strader, Matthew L.; Lynch, Michael S.; Schoenlein, Robert W.; Khalil, Munira

    2012-05-01

    This study uses transient X-ray absorption (XA) spectroscopy and timedependent density functional theory (TD-DFT) to directly visualize the charge density around the metal atom and the surrounding ligands following an ultrafast metal-to-ligand charge-transfer (MLCT) process in the widely used RuII solar cell dye, Ru(dcbpy)2(NCS)2 (termed N3). We measure the Ru L-edge XA spectra of the singlet ground (1A1) and the transient triplet (3MLCT) excited state of N34 and perform TD-DFT calculations of 2p core-level excitations, which identify a unique spectral signature of the electron density on the NCS ligands. We find that the Ru 2p, Ru eg, and NCS orbitals are stabilized by 2.0, 1.0, and 0.6 eV, respectively, in the transient 3MLCT state of the dye. These results highlight the role of the NCS ligands in governing the oxidation state of the Ru center.

  7. Determining copper and lead binding in Larrea tridentata through chemical modification and X-ray absorption spectroscopy

    SciTech Connect (OSTI)

    Polette, L.; Gardea-Torresdey, J.L.; Chianelli, R.; Pickering, I.J.; George, G.N.

    1997-12-31

    Metal contamination in soils has become a widespread problem. Emerging technologies, such as phytoremediation, may offer low cost cleanup methods. The authors have identified a desert plant, Larrea tridentata (creosote bush), which naturally grows and uptakes copper and lead from a contaminated area near a smelting operation. They determined, through chemical modification of carboxyl groups with methanol, that these functional groups may be responsible for a portion of copper(II) binding. In contrast, lead binding was minimally affected by modification of carboxyl groups. X-ray absorption spectroscopy studies conducted at Stanford Synchrotron Radiation Laboratory (SSRL) further support copper binding to oxygen-coordinated ligands and also imply that the binding is not solely due to phytochelatins. The EXAFS data indicate the presence of both Cu-O and Cu-S back scatters, no short Cu-Cu interactions, but with significant Cu-Cu back scattering at 3.7 {angstrom} (unlike phytochelatins with predominantly Cu-S coordination and short Cu-Cu interactions at 2.7 {angstrom}). Cu EXAFS of roots and leaves also vary depending on the level of heavy metal contamination in the environment from which the various creosote samples were obtained. In contrast, Pb XANES data of roots and leaves of creosote collected from different contaminated sites indicate no difference in valence states or ligand coordination.

  8. X-ray absorption spectroscopy of LiBF 4 in propylene carbonate. A model lithium ion battery electrolyte

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Smith, Jacob W.; Lam, Royce K.; Sheardy, Alex T.; Shih, Orion; Rizzuto, Anthony M.; Borodin, Oleg; Harris, Stephen J.; Prendergast, David; Saykally, Richard J.

    2014-08-20

    Since their introduction into the commercial marketplace in 1991, lithium ion batteries have become increasingly ubiquitous in portable technology. Nevertheless, improvements to existing battery technology are necessary to expand their utility for larger-scale applications, such as electric vehicles. Advances may be realized from improvements to the liquid electrolyte; however, current understanding of the liquid structure and properties remains incomplete. X-ray absorption spectroscopy of solutions of LiBF4 in propylene carbonate (PC), interpreted using first-principles electronic structure calculations within the eXcited electron and Core Hole (XCH) approximation, yields new insight into the solvation structure of the Li+ ion in this model electrolyte.more » By generating linear combinations of the computed spectra of Li+-associating and free PC molecules and comparing to the experimental spectrum, we find a Li+–solvent interaction number of 4.5. This result suggests that computational models of lithium ion battery electrolytes should move beyond tetrahedral coordination structures.« less

  9. Influence of structural disorder on soft x-ray optical behavior of NbC thin films

    SciTech Connect (OSTI)

    Singh, Amol E-mail: rrcat.amol@gmail.com; Modi, Mohammed H.; Sinha, A. K.; Lodha, G. S.; Rajput, Parasmani

    2015-05-07

    Structural and chemical properties of compound materials are modified, when thin films are formed from bulk materials. To understand these changes, a study was pursued on niobium carbide (NbC) thin films of different thicknesses deposited on Si (100) substrate using ion beam sputtering technique. Optical response of the film was measured in 4–36 nm wavelength region using Indus-1 reflectivity beamline. A discrepancy in soft x-ray performance of NbC film was observed which could not be explained with Henke's tabulated data (see http://henke.lbl.gov/optical{sub c}onstants/ ). In order to understand this, detailed structural and chemical investigations were carried out using x-ray reflectivity, grazing incidence x-ray diffraction, x-ray absorption near edge structure, extended x-ray absorption fine structure, and x-ray photoelectron spectroscopy techniques. It was found that the presence of unreacted carbon and Nb deficiency due to reduced Nb-Nb coordination are responsible for lower soft x-ray reflectivity performance. NbC is an important material for soft x-ray optical devices, hence the structural disorder need to be controlled to achieve the best performances.

  10. Particle size effect of hydride formation and surface hydrogen absorption of nanosized palladium catalysts : L{sub 3} edge vs K edge x-ray absorption spectroscopy.

    SciTech Connect (OSTI)

    Tew, M. W.; Miller, J. T.; van Bokhoven, J. A.

    2009-08-01

    The particle size effect on the formation of palladium hydride and on surface hydrogen adsorption was studied at room temperature using in situ X-ray absorption spectroscopy at the Pd K and L{sub 3} edges. Hydride formation was indirectly observed by lattice expansion in Pd K edge XANES spectra and by EXAFS analysis. Hydride formation was directly detected in the L{sub 3} edge spectra. A characteristic spectral feature caused by the formation of a Pd-H antibonding state showed strong particle size dependence. The L{sub 3} edge spectra were reproduced using full multiple scattering analysis and density of state calculations, and the contributions of bulk absorbed and surface hydrogen to the XANES spectra could be distinguished. The ratio of hydrogen on the surface versus that in the bulk increased with decreasing particle size, and smaller particles dissolved less hydrogen.

  11. Comparison of SOFC Cathode Microstructure Quantified using X-ray Nanotomography and Focused Ioni Beam-scanning Electron Microscopy

    SciTech Connect (OSTI)

    G Nelson; W Harris; J Lombardo; J Izzo Jr.; W Chiu; P Tanasini; M Cantoni; J Van herle; C Comninellis; et al.

    2011-12-31

    X-ray nanotomography and focused ion beam scanning electron microscopy (FIB-SEM) have been applied to investigate the complex 3D microstructure of solid oxide fuel cell (SOFC) electrodes at spatial resolutions of 45 nm and below. The application of near edge differential absorption for x-ray nanotomography and energy selected backscatter detection for FIB-SEM enable elemental mapping within the microstructure. Using these methods, non-destructive 3D x-ray imaging and FIB-SEM serial sectioning have been applied to compare three-dimensional elemental mapping of the LSM, YSZ, and pore phases in the SOFC cathode microstructure. The microstructural characterization of an SOFC cathode is reported based on these measurements. The results presented demonstrate the viability of x-ray nanotomography as a quantitative characterization technique and provide key insights into the SOFC cathode microstructure.

  12. Comparison of SOFC Cathode Microstructure Quantified using X-ray Nanotomography and Focused Ion Beam - Scanning Electron Microscopy

    SciTech Connect (OSTI)

    Nelson, George J.; Harris, William H.; Lombardo, Jeffrey J.; Izzo, Jr., John R.; Chiu, W. K. S.; Tanasini, Pietro; Cantoni, Marco; Van herle, Jan; Comninellis, Christos; Andrews, Joy C.; Liu, Yijin; Pianetta, Piero; Chu, Yong

    2011-03-24

    X-ray nanotomography and focused ion beam scanning electron microscopy (FIB-SEM) have been applied to investigate the complex 3D microstructure of solid oxide fuel cell (SOFC) electrodes at spatial resolutions of 45 nm and below. The application of near edge differential absorption for x-ray nanotomography and energy selected backscatter detection for FIBSEM enable elemental mapping within the microstructure. Using these methods, non-destructive 3D x-ray imaging and FIBSEM serial sectioning have been applied to compare three-dimensional elemental mapping of the LSM, YSZ, and pore phases in the SOFC cathode microstructure. The microstructural characterization of an SOFC cathode is reported based on these measurements. The results presented demonstrate the viability of x-ray nanotomography as a quantitative characterization technique and provide key insights into the SOFC cathode microstructure.

  13. In situ monitoring of the electrochemical absorption of deuterium into palladium by x-ray diffraction using synchrotron-wiggler radiation

    SciTech Connect (OSTI)

    Dominguez, D.D.; Hagans, P.L.; Skelton, E.F.; Qadri, S.B.; Nagel, D.J.

    1998-12-31

    With low energy x-rays, such as those from a Cu x-ray tube, only the outer few microns of a metallic sample can be probed. This low penetrating power prohibits structural studies from being carried out on the interior of an electrode in an electrochemical cell because of absorption by the cell material, electrodes and the electrolyte. The work described in this paper circumvents this problem by utilizing high energy, high brightness x-rays produced on the superconducting wiggler beam line, X-17C, at the National Synchrotron Light Source (NSLS) at Brookhaven National Laboratory. The penetrating power of the higher energy x-rays allowed Pd diffraction spectra to be obtained in-situ on a 1 mm diameter Pd wire cathode during electrolysis of heavy water. Moreover, the beam (28 x 28 {micro}m in cross-section) allowed diffraction spectra to be acquired as a function of distance across the sample. Spectra were recorded in 50 {micro}m steps from the edge of the Pd wire to its core. This was done at 2 minute intervals as a function of electrolysis time. The {alpha}-{beta} phase transition induced in the Pd while deuterium was electrochemically absorbed was observed by monitoring the Pd-(422) diffraction peaks. Results allowed the diffusion rate and the diffusivity of deuterium atoms in the Pd wire to be determined. Other features of the structural changes associated with the absorption of deuterium into Pd are reported.

  14. Deciphering Ni sequestration in soil ferromanganese nodules by combining x-ray fluorescence, absorption and diffraction at micrometer scales of resolution

    SciTech Connect (OSTI)

    Manceau, Alain; Tamura, Nobumichi; Marcus, Matthew A.; MacDowell, Alastair A.; Celestre, Richard S.; Sublett, Robert E.; Sposito, Garrison; Padmore, Howard A.

    2002-11-06

    X-ray microprobes are among the most important new analytical techniques to emerge from third generation synchrotron facilities. Here we show how X-ray fluorescence, diffraction, and absorption can be used in parallel to determine the structural form of trace elements in heterogeneous matrices at the micrometer-scale of resolution. Scanning X-ray microfluorescence (microSXRF) and microdiffraction (microSXRD) first are used to identify the host solid phase by mapping the distributions of elements and solid species, respectively. Micro-extended X-ray absorption fine structure (microEXAFS) spectroscopy is then used to determine the mechanism of trace element binding by the host phase at the molecular scale. To illustrate the complementary application of these three techniques, we studied how nickel is sequestered in soil ferromanganese nodules, an overwhelmingly complex natural matrix consisting of submicrometer to nanometer sized particles with varying structures and chemical composition s. We show that nickel substitutes for Mn3+ in the manganese layer of the MnO2-Al(OH)3 mixed-layer oxide lithiophorite. The affinity of Ni for lithiophorite was characteristic of micromodules sampled from soils across the U.S.A. and Europe. Since many natural and synthetic materials are heterogeneous at nanometer to micrometer scales, the synergistic use of microSXRF, microSXRD and microEXAFS is expected to have broad applications to earth and materials science.

  15. Scanning Transmission X-ray Microscopy: Applications in Atmospheric Aerosol Research

    SciTech Connect (OSTI)

    Moffet, Ryan C.; Tivanski, Alexei V.; Gilles, Mary K.

    2011-01-20

    Scanning transmission x-ray microscopy (STXM) combines x-ray microscopy and near edge x-ray absorption fine structure spectroscopy (NEXAFS). This combination provides spatially resolved bonding and oxidation state information. While there are reviews relevant to STXM/NEXAFS applications in other environmental fields (and magnetic materials) this chapter focuses on atmospheric aerosols. It provides an introduction to this technique in a manner approachable to non-experts. It begins with relevant background information on synchrotron radiation sources and a description of NEXAFS spectroscopy. The bulk of the chapter provides a survey of STXM/NEXAFS aerosol studies and is organized according to the type of aerosol investigated. The purpose is to illustrate the current range and recent growth of scientific investigations employing STXM-NEXAFS to probe atmospheric aerosol morphology, surface coatings, mixing states, and atmospheric processing.

  16. High resolution absorption spectroscopy of exploding wire plasmas using an x-pinch x-ray source and spherically bent crystal

    SciTech Connect (OSTI)

    Knapp, P. F.; Pikuz, S. A.; Shelkovenko, T. A.; Hammer, D. A.; Hansen, S. B.

    2011-06-15

    We present here the use of absorption spectroscopy of the continuum radiation from x-pinch-produced point x-ray sources as a diagnostic to investigate the properties of aluminum plasmas created by pulsed power machines. This technique is being developed to determine the charge state, temperature, and density as a function of time and space under conditions that are inaccessible to x-ray emission spectroscopic diagnostics. The apparatus and its characterization are described, and the spectrometer dispersion, magnification, and resolution are calculated and compared with experimental results. Spectral resolution of about 5000 and spatial resolution of about 20 {mu}m are demonstrated. This spectral resolution is the highest available to date in an absorption experiment. The beneficial properties of the x-pinch x-ray source as the backlighter for this diagnostic are the small source size (<5 {mu}m), smooth continuum radiation, and short pulse duration (<0.1 ns). Results from a closely spaced (1 mm) exploding wire pair are shown and the general features are discussed.

  17. High resolution x-ray fluorescence spectroscopy - a new technique for site- and spin-selectivity

    SciTech Connect (OSTI)

    Wang, Xin

    1996-12-01

    X-ray spectroscopy has long been used to elucidate electronic and structural information of molecules. One of the weaknesses of x-ray absorption is its sensitivity to all of the atoms of a particular element in a sample. Through out this thesis, a new technique for enhancing the site- and spin-selectivity of the x-ray absorption has been developed. By high resolution fluorescence detection, the chemical sensitivity of K emission spectra can be used to identify oxidation and spin states; it can also be used to facilitate site-selective X-ray Absorption Near Edge Structure (XANES) and site-selective Extended X-ray Absorption Fine Structure (EXAFS). The spin polarization in K fluorescence could be used to generate spin selective XANES or spin-polarized EXAFS, which provides a new measure of the spin density, or the nature of magnetic neighboring atoms. Finally, dramatic line-sharpening effects by the combination of absorption and emission processes allow observation of structure that is normally unobservable. All these unique characters can enormously simplify a complex x-ray spectrum. Applications of this novel technique have generated information from various transition-metal model compounds to metalloproteins. The absorption and emission spectra by high resolution fluorescence detection are interdependent. The ligand field multiplet model has been used for the analysis of K{alpha} and K{beta} emission spectra. First demonstration on different chemical states of Fe compounds has shown the applicability of site selectivity and spin polarization. Different interatomic distances of the same element in different chemical forms have been detected using site-selective EXAFS.

  18. Toward the standard population synthesis model of the X-ray background: Evolution of X-ray luminosity and absorption functions of active galactic nuclei including Compton-thick populations

    SciTech Connect (OSTI)

    Ueda, Yoshihiro; Akiyama, Masayuki; Hasinger, Gnther; Miyaji, Takamitsu; Watson, Michael G.

    2014-05-10

    We present the most up to date X-ray luminosity function (XLF) and absorption function of active galactic nuclei (AGNs) over the redshift range from 0 to 5, utilizing the largest, highly complete sample ever available obtained from surveys performed with Swift/BAT, MAXI, ASCA, XMM-Newton, Chandra, and ROSAT. The combined sample, including that of the Subaru/XMM-Newton Deep Survey, consists of 4039 detections in the soft (0.5-2 keV) and/or hard (>2 keV) band. We utilize a maximum likelihood method to reproduce the count rate versus redshift distribution for each survey, by taking into account the evolution of the absorbed fraction, the contribution from Compton-thick (CTK) AGNs, and broadband spectra of AGNs, including reflection components from tori based on the luminosity- and redshift-dependent unified scheme. We find that the shape of the XLF at z ? 1-3 is significantly different from that in the local universe, for which the luminosity-dependent density evolution model gives much better description than the luminosity and density evolution model. These results establish the standard population synthesis model of the X-ray background (XRB), which well reproduces the source counts, the observed fractions of CTK AGNs, and the spectrum of the hard XRB. The number ratio of CTK AGNs to the absorbed Compton-thin (CTN) AGNs is constrained to be ?0.5-1.6 to produce the 20-50 keV XRB intensity within present uncertainties, by assuming that they follow the same evolution as CTN AGNs. The growth history of supermassive black holes is discussed based on the new AGN bolometric luminosity function.

  19. In situ soft X-ray absorption spectroscopy investigation of electrochemical corrosion of copper in aqueous NaHCO3 solution

    SciTech Connect (OSTI)

    Jiang, Peng; Chen, Jeng-Lung; Borondics, Ferenc; Glans, Per-Anders; West, Mark W.; Chang, Ching-Lin; Salmeron, Miquel; Guo, Jinghua

    2010-03-31

    A novel electrochemical setup has been developed for soft x-ray absorption studies of the electronic structure of electrode materials during electrochemical cycling. In this communication we illustrate the operation of the cell with a study of the corrosion behavior of copper in aqueous NaHCO3 solution via the electrochemically induced changes of its electronic structure. This development opens the way for in situ investigations of electrochemical processes, photovoltaics, batteries, fuel cells, water splitting, corrosion, electrodeposition, and a variety of important biological processes.

  20. Setup for in situ investigation of gases and gas/solid interfaces by soft x-ray emission and absorption spectroscopy

    SciTech Connect (OSTI)

    Benkert, A. E-mail: l.weinhardt@kit.edu; Blum, M.; Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720 ; Meyer, F.; Wilks, R. G.; Yang, W.; Bär, M.; Solar Energy Research, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner-Platz 1, 14109 Berlin; Insitut für Physik und Chemie, Brandenburgische Technische Universität Cottbus-Senftenberg, Konrad-Wachsmann-Allee 1, 03046 Cottbus ; and others

    2014-01-15

    We present a novel gas cell designed to study the electronic structure of gases and gas/solid interfaces using soft x-ray emission and absorption spectroscopies. In this cell, the sample gas is separated from the vacuum of the analysis chamber by a thin window membrane, allowing in situ measurements under atmospheric pressure. The temperature of the gas can be regulated from room temperature up to approximately 600 °C. To avoid beam damage, a constant mass flow can be maintained to continuously refresh the gaseous sample. Furthermore, the gas cell provides space for solid-state samples, allowing to study the gas/solid interface for surface catalytic reactions at elevated temperatures. To demonstrate the capabilities of the cell, we have investigated a TiO{sub 2} sample behind a mixture of N{sub 2} and He gas at atmospheric pressure.

  1. The apparent absence of chemical sensitivity in the 4d and 5d X-ray absorption spectroscopy of uranium compounds

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Tobin, J. G.

    2013-05-03

    X-ray absorption spectroscopy (XAS) and related derivative measurements have been used to demonstrate that the Pu 5f states are strongly relativistic and have a 5f occupation number near 5. Owing to the success in this regime, it has been argued that the XAS measurements should be a powerful tool to probe 5f occupation variation, both as a function of elemental nature (actinide atomic number) and as a function of physical and chemical perturbation, e.g., oxidation state. We show that XAS and its related measurements fail in this latter aspect for a wide variety of uranium compounds and materials. Possible causesmore » will be discussed.« less

  2. X-Ray Diagnostics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    including film developing and scanning, and image plate scanning. Related images X-ray framing camera being loaded into the TIM in the Trident North Target Area. X-ray framing...

  3. Synchrotron x-ray spectroscopy studies of valence and magnetic state in europium metal to extreme pressures

    SciTech Connect (OSTI)

    Bi, W.; Souza-Neto, N.M.; Haskel, D.; Fabbris, G.; Alp, E.E.; Zhao, J.; Hennig, R.G.; Abd-Elmeguid, M.M.; Meng, Y.; McCallum, Ralph W.; Dennis, Kevin; Schilling, J.S.

    2012-05-22

    In order to probe the changes in the valence state and magnetic properties of Eu metal under extreme pressure, x-ray absorption near-edge spectroscopy, x-ray magnetic circular dichroism, and synchrotron Mössbauer spectroscopy experiments were carried out. The Mössbauer isomer shift exhibits anomalous pressure dependence, passing through a maximum near 20 GPa. Density functional theory has been applied to give insight into the pressure-induced changes in both Eu's electronic structure and Mössbauer isomer shift. Contrary to previous reports, Eu is found to remain nearly divalent to the highest pressures reached (87 GPa) with magnetic order persisting to at least 50 GPa. These results should lead to a better understanding of the nature of the superconducting state found above 75 GPa and of the sequence of structural phase transitions observed to 92 GPa.

  4. On the Putative Detection of Z>0 X-Ray Absorption Features in the Spectrum of Mrk 421

    SciTech Connect (OSTI)

    Rasmussen, Andrew P.; Kahn, Steven M.; Paerels, Frits; Herder, Jan Willem den; Kaastra, Jelle; de Vries, Cor; /SRON, Utrecht

    2006-04-28

    In a series of papers, Nicastro et al. have claimed the detection of z > 0 O VII absorption features in the spectrum of Mrk 421 obtained with the Chandra Low Energy Transmission Grating Spectrometer (LETGS). We evaluate those claims in the context of a high quality spectrum of the same source obtained with the Reflection Grating Spectrometer (RGS) on XMM-Newton. The data comprise over 955 ksec of usable exposure time and more than 2.6 x 10{sup 4} counts per 50 m{angstrom} at 21.6 {angstrom}. We concentrate on the spectrally clean region (21.3 < {lambda} < 22.5 {angstrom}) where sharp features due to the astrophysically abundant O VII may reveal an intervening, warm-hot intergalactic medium (WHIM). In spite of the fact that the sensitivity of the RGS data is higher than that of the original LETGS data presented by Nicastro et al., we do not confirm detection of any of the intervening systems claimed to date. Rather, we detect only three unsurprising, astrophysically expected features down to the log (N{sub i}) {approx} 14.6 (3{sigma}) sensitivity level. Each of the two purported WHIM features is rejected with a statistical confidence that exceeds that reported for its initial detection. While we can not rule out the existence of fainter, WHIM related features in these spectra, we suggest that previous discovery claims were premature. A more recent paper by Williams et al. claims to have demonstrated that the RGS data we analyze here do not have the resolution or statistical quality required to confirm or deny the LETGS detections. We show that the Williams et al. reduction of the RGS data was highly flawed, leading to an artificial and spurious degradation of the instrument response. We carefully highlight the differences between our analysis presented here and those published by Williams et al.

  5. X-Ray Diagnostics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    X-Ray Diagnostics X-Ray Diagnostics Maintenance of existing devices and development of advanced concepts Contact John Oertel (505) 665-3246 Email Hot, dense matter produced by intense laser interaction with a solid target often produces x-rays with energies from 100 eV to those exceeding 100 keV. A suite of diagnostics and methods have been deployed at Trident to diagnose the x-ray emission from laser-matter interaction experiments, or to use the x-rays as a probe of dense matter. These

  6. Controlling X-rays With Light

    SciTech Connect (OSTI)

    Glover, Ernie; Hertlein, Marcus; Southworth, Steve; Allison, Tom; van Tilborg, Jeroen; Kanter, Elliot; Krassig, B.; Varma, H.; Rude, Bruce; Santra, Robin; Belkacem, Ali; Young, Linda

    2010-08-02

    Ultrafast x-ray science is an exciting frontier that promises the visualization of electronic, atomic and molecular dynamics on atomic time and length scales. A largelyunexplored area of ultrafast x-ray science is the use of light to control how x-rays interact with matter. In order to extend control concepts established for long wavelengthprobes to the x-ray regime, the optical control field must drive a coherent electronic response on a timescale comparable to femtosecond core-hole lifetimes. An intense field is required to achieve this rapid response. Here an intense optical control pulse isobserved to efficiently modulate photoelectric absorption for x-rays and to create an ultrafast transparency window. We demonstrate an application of x-ray transparencyrelevant to ultrafast x-ray sources: an all-photonic temporal cross-correlation measurement of a femtosecond x-ray pulse. The ability to control x-ray/matterinteractions with light will create new opportunities at current and next-generation x-ray light sources.

  7. In situ and ex situ spectroelectrochemical and X-ray absorption studies on rechargeable, chemically-modified and other MnO{sub 2} materials

    SciTech Connect (OSTI)

    Conway, B.E.; Qu, D.; McBreen, J. |

    1992-12-31

    A combined series of in situ and ex situ UV spectroelectrochemical and X-ray absorption studies have been made on MnO{sub 2}, chemically-modified by small amounts of Bi(III), and comparatively on other MnO{sub 2} materials such as a blank (Bi-free) and {gamma}-MnO{sub 2}. These procedures are applied in order to follow the oxidation-states of Bi and of Mn during the course of discharge and recharge of MnO{sub 2} as a battery cathode material, and the extents of rechargeability that can be achieved with such materials. Presence of Bi appears to provide a preferred ``heterogeneous`` discharge/recharge pathway involving a soluble Mn(III) intermediate, over the alternative ``electron-proton`` hopping, solid-state mechanism. From XAS results, it is concluded that presence of Bi, although not affecting the O-coordination, does influence the Mn-Mn coordination, determining the way the MnO{sub 2} coordination octahedra are connected.

  8. X-ray absorption spectroscopy of LiBF 4 in propylene carbonate. A model lithium ion battery electrolyte

    SciTech Connect (OSTI)

    Smith, Jacob W.; Lam, Royce K.; Sheardy, Alex T.; Shih, Orion; Rizzuto, Anthony M.; Borodin, Oleg; Harris, Stephen J.; Prendergast, David; Saykally, Richard J.

    2014-08-20

    Since their introduction into the commercial marketplace in 1991, lithium ion batteries have become increasingly ubiquitous in portable technology. Nevertheless, improvements to existing battery technology are necessary to expand their utility for larger-scale applications, such as electric vehicles. Advances may be realized from improvements to the liquid electrolyte; however, current understanding of the liquid structure and properties remains incomplete. X-ray absorption spectroscopy of solutions of LiBF4 in propylene carbonate (PC), interpreted using first-principles electronic structure calculations within the eXcited electron and Core Hole (XCH) approximation, yields new insight into the solvation structure of the Li+ ion in this model electrolyte. By generating linear combinations of the computed spectra of Li+-associating and free PC molecules and comparing to the experimental spectrum, we find a Li+–solvent interaction number of 4.5. This result suggests that computational models of lithium ion battery electrolytes should move beyond tetrahedral coordination structures.

  9. In situ X-ray absorption spectroscopic investigation of the electrochemical conversion reactions of CuF{sub 2}-MoO{sub 3} nanocomposite

    SciTech Connect (OSTI)

    Mansour, A.N.; Badway, F.; Yoon, W.-S.; Chung, K.Y.; Amatucci, G.G.

    2010-12-15

    We have used X-ray absorption spectroscopy at the Cu K-edge to investigate the electrochemical conversion reaction of 20 nm size 85 wt% CuF{sub 2}-15 wt% MoO{sub 3} nanocomposite under in situ conditions. The nanocomposite was prepared by high energy milling. Upon discharge, the lithiation reaction with the nanocomposite resulted in the formation of nanophase metallic Cu, which is consistent with the conversion of CuF{sub 2} into Cu and LiF. Based on XANES and Fourier transforms of EXAFS spectra, we show that the discharge process proceeded via the formation of highly dispersed Cu particles. Based on the coordination number of the first shell of Cu, the average size of the Cu particles was estimated to be in the 1-3 nm range in the fully discharged state. -- Graphical Abstract: Comparison of Fourier transform of in situ Cu K-edge EXAFS spectra for a fully discharged CuF{sub 2{center_dot}}MoO{sub 3} nanocomposite in a nonaqueous Li cell with that of a Cu foil. Quantitative analysis of the Fourier transforms confirmed that the discharge mechanism for the nanocomposite proceeds via the reaction CuF{sub 2}+2Li{yields}Cu+2LiF. The discharge product of Cu is in the form of highly dispersed nanoparticles. Display Omitted

  10. Probing the f-state configuration of URu2Si2 with U LIII-edge resonant x-ray absorption spectroscopy

    SciTech Connect (OSTI)

    Medling, S. A.; Booth, C. H.; Tobin, J. G.; Baumbach, R. E.; Bauer, E. D.; Sokaras, D.; Nordlund, D.; Weng, T. C.

    2015-09-05

    It has often been said that the most interesting ph- syics occurs when competing interactions are of nearly the same magnitude. Such a situation is surely oc- curing at URu2Si2’s so-called “hidden-order transition”, which garners its name from the missing entropy at a 17.5 K phase transition relative to that expected for a conventional antiferromagnetic phase transition, de- spite the presence of only a very small ordered mag- netic moment.? Despite this discrepancy being identi- fied in 1985, the identification of the order parameter remains elusive, although progress toward understand- ing this transition has been steady since that time, and URu2Si2 remains an important research subject today.? The work described below provides measures of the 5f orbital occupancy and itinerancy using resonant x-ray emission spectroscopy (RXES) at the U LIII absorption edge and measuring U L 1 emission that potentially acts as a dividing line between different classes of “hidden- order” theories.

  11. Simulating Ru L3-Edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers

    SciTech Connect (OSTI)

    Kuiken, Benjamin E. Van; Valiev, Marat; Daifuku, Stephanie L.; Bannan, Caitlin; Strader, Matthew L.; Cho, Hana; Huse, Nils; Schoenlein, Robert W.; Govind, Niranjan; Khalil, Munira

    2013-04-26

    Ruthenium L3-edge X-ray absorption (XA) spectroscopy probes unoccupied 4d orbitals of the metal atom and is increasingly being used to investigate the local electronic structure in ground and excited electronic states of Ru complexes. The simultaneous development of computational tools for simulating Ru L3-edge spectra is crucial for interpreting the spectral features at a molecular level. This study demonstrates that time-dependent density functional theory (TDDFT) is a viable and predictive tool for simulating ruthenium L3-edge XA spectroscopy. We systematically investigate the effects of exchange correlation functional and implicit and explicit solvent interactions on a series of RuII and RuIII complexes in their ground and electronic excited states. The TDDFT simulations reproduce all of the experimentally observed features in Ru L3-edge XA spectra within the experimental resolution (0.4 eV). Our simulations identify ligand-specific charge transfer features in complicated Ru L3-edge spectra of [Ru(CN)6]4- and RuII polypyridyl complexes illustrating the advantage of using TDDFT in complex systems. We conclude that the B3LYP functional most accurately predicts the transition energies of charge transfer features in these systems. We use our TDDFT approach to simulate experimental Ru L3-edge XA spectra of transition metal mixed-valence dimers of the form [(NC)5MII-CN-RuIII(NH3)5] (where M = Fe or Ru) dissolved in water. Our study determines the spectral signatures of electron delocalization in Ru L3-edge XA spectra. We find that the inclusion of explicit solvent molecules is necessary for reproducing the spectral features and the experimentally determined valencies in these mixed-valence complexes. This study validates the use of TDDFT for simulating Ru 2p excitations using popular quantum chemistry codes and providing a powerful interpretive tool for equilibrium and ultrafast Ru L3-edge XA spectroscopy.

  12. X-ray beamsplitter

    DOE Patents [OSTI]

    Ceglio, Natale M.; Stearns, Daniel S.; Hawryluk, Andrew M.; Barbee, Jr., Troy W.

    1989-01-01

    An x-ray beamsplitter which splits an x-ray beam into two coherent parts by reflecting and transmitting some fraction of an incident beam has applications for x-ray interferometry, x-ray holography, x-ray beam manipulation, and x-ray laser cavity output couplers. The beamsplitter is formed of a wavelength selective multilayer thin film supported by a very thin x-ray transparent membrane. The beamsplitter resonantly transmits and reflects x-rays through thin film interference effects. A thin film is formed of 5-50 pairs of alternate Mo/Si layers with a period of 20-250 A. The support membrane is 10-200 nm of silicon nitride or boron nitride. The multilayer/support membrane structure is formed across a window in a substrate by first forming the structure on a solid substrate and then forming a window in the substrate to leave a free-standing structure over the window.

  13. X-ray beamsplitter

    DOE Patents [OSTI]

    Ceglio, N.M.; Stearns, D.G.; Hawryluk, A.M.; Barbee, T.W. Jr.

    1987-08-07

    An x-ray beamsplitter which splits an x-ray beam into two coherent parts by reflecting and transmitting some fraction of an incident beam has applications for x-ray interferometry, x-ray holography, x-ray beam manipulation, and x-ray laser cavity output couplers. The beamsplitter is formed of a wavelength selective multilayer thin film supported by a very thin x-ray transparent membrane. The beamsplitter resonantly transmits and reflects x-rays through thin film interference effects. A thin film is formed of 5--50 pairs of alternate Mo/Si layers with a period of 20--250 A. The support membrane is 10--200 nm of silicon nitride or boron nitride. The multilayer/support membrane structure is formed across a window in a substrate by first forming the structure on a solid substrate and then forming a window in the substrate to leave a free-standing structure over the window. 6 figs.

  14. Chest x-Rays

    Broader source: Energy.gov [DOE]

    The B-reading is a special reading of a standard chest x-ray film performed by a physician certified by the National Institute for Occupational Safety and Health (NIOSH). The reading looks for changes on the chest x-ray that may indicate exposure and disease caused by agents such as asbestos or silica.

  15. X-ray generator

    DOE Patents [OSTI]

    Dawson, John M.

    1976-01-01

    Apparatus and method for producing coherent secondary x-rays that are controlled as to direction by illuminating a mixture of high z and low z gases with an intense burst of primary x-rays. The primary x-rays are produced with a laser activated plasma, and these x-rays strip off the electrons of the high z atoms in the lasing medium, while the low z atoms retain their electrons. The neutral atoms transfer electrons to highly excited states of the highly striped high z ions giving an inverted population which produces the desired coherent x-rays. In one embodiment, a laser, light beam provides a laser spark that produces the intense burst of coherent x-rays that illuminates the mixture of high z and low z gases, whereby the high z atoms are stripped while the low z ones are not, giving the desired mixture of highly ionized and neutral atoms. To this end, the laser spark is produced by injecting a laser light beam, or a plurality of beams, into a first gas in a cylindrical container having an adjacent second gas layer co-axial therewith, the laser producing a plasma and the intense primary x-rays in the first gas, and the second gas containing the high and low atomic number elements for receiving the primary x-rays, whereupon the secondary x-rays are produced therein by stripping desired ions in a neutral gas and transfer of electrons to highly excited states of the stripped ions from the unionized atoms. Means for magnetically confining and stabilizing the plasma are disclosed for controlling the direction of the x-rays.

  16. Probing the hydrogen-bond network of water via time-resolved soft x-ray spectroscopy

    SciTech Connect (OSTI)

    Huse, Nils; Wen, Haidan; Nordlund, Dennis; Szilagyi, Erzsi; Daranciang, Dan; Miller, Timothy A.; Nilsson, Anders; Schoenlein, Robert W.; Lindenberg, Aaron M.

    2009-04-24

    We report time-resolved studies of hydrogen bonding in liquid H2O, in response to direct excitation of the O-H stretch mode at 3 mu m, probed via soft x-ray absorption spectroscopy at the oxygen K-edge. This approach employs a newly developed nanofluidic cell for transient soft x-ray spectroscopy in liquid phase. Distinct changes in the near-edge spectral region (XANES) are observed, and are indicative of a transient temperature rise of 10K following transient laser excitation and rapid thermalization of vibrational energy. The rapid heating occurs at constant volume and the associated increase in internal pressure, estimated to be 8MPa, is manifest by distinct spectral changes that differ from those induced by temperature alone. We conclude that the near-edge spectral shape of the oxygen K-edge is a sensitive probe of internal pressure, opening new possibilities for testing the validity of water models and providing new insight into the nature of hydrogen bonding in water.

  17. ALS X-Rays Shine a New Light on Catalysis

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    were able to directly observe redox processes in thin-film iron and cobalt perovskite oxide electrocatalysts using surface-sensitive, x-ray absorption spectroscopy while...

  18. X-ray laser

    DOE Patents [OSTI]

    Nilsen, Joseph

    1991-01-01

    An X-ray laser (10) that lases between the K edges of carbon and oxygen, i.e. between 44 and 23 Angstroms, is provided. The laser comprises a silicon (12) and dysprosium (14) foil combination (16) that is driven by two beams (18, 20) of intense line focused (22, 24) optical laser radiation. Ground state nickel-like dysprosium ions (34) are resonantly photo-pumped to their upper X-ray laser state by line emission from hydrogen-like silicon ions (32). The novel X-ray laser should prove especially useful for the microscopy of biological specimens.

  19. X-Ray Detection

    Office of Scientific and Technical Information (OSTI)

    ratio, I I on I off , recorded with plus (+, blue) and minus (-, red) x-ray helicities. This measurement was taken at -5 mA, which corresponds to a current...

  20. Bandpass x-ray diode and x-ray multiplier detector

    DOE Patents [OSTI]

    Wang, C.L.

    1982-09-27

    An absorption-edge of an x-ray absorption filter and a quantum jump of a photocathode determine the bandpass characteristics of an x-ray diode detector. An anode, which collects the photoelectrons emitted by the photocathode, has enhanced amplification provided by photoelectron-multiplying means which include dynodes or a microchannel-plate electron-multiplier. Suppression of undesired high frequency response for a bandpass x-ray diode is provided by subtracting a signal representative of energies above the passband from a signal representative of the overall response of the bandpass diode.

  1. X-ray Imaging Workshop

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    microscopy (PEEM), angle resolved photoemission spectroscopy (ARPES), coherent diffraction imaging, x-ray microscopy, micro-tomography, holographic imaging, and x-ray...

  2. X-ray fluorescence mapping

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    X-Ray Microscopy and Imaging: X-ray Fluorescence Mapping Of increasing scientific interest is the detection, quantification and mapping of elemental content of samples, often down...

  3. X-ray microtomography

    SciTech Connect (OSTI)

    Landis, Eric N.; Keane, Denis T.

    2010-12-15

    In this tutorial, we describe X-ray microtomography as a technique to nondestructively characterize material microstructure in three dimensions at a micron level spatial resolution. While commercially available laboratory scale instrumentation is available, we focus our attention on synchrotron-based systems, where we can exploit a high flux, monochromatic X-ray beam to produce high fidelity three-dimensional images. A brief description of the physics and the mathematical analysis behind the technique is followed by example applications to specific materials characterization problems, with a particular focus on the utilization of three-dimensional image processing that can be used to extract a wide range of useful information.

  4. X-ray beam finder

    DOE Patents [OSTI]

    Gilbert, H.W.

    1983-06-16

    An X-ray beam finder for locating a focal spot of an X-ray tube includes a mass of X-ray opaque material having first and second axially-aligned, parallel-opposed faces connected by a plurality of substantially identical parallel holes perpendicular to the faces and a film holder for holding X-ray sensitive film tightly against one face while the other face is placed in contact with the window of an X-ray head.

  5. Soft X-ray absorption spectroscopy of La{sub 0.7}Ca{sub 0.3}Mn{sub 1−X}Al{sub X}O{sub 3} thin films

    SciTech Connect (OSTI)

    Kumar, Manish Choudhary, R. J. Phase, D. M.

    2014-04-24

    Epitaxial thin films of rare earth manganites have generated much attention recently due to their rich phase diagram. The electronic structure of these films is playing a very crucial role and demands a fundamental understanding prior to device fabrication. We have investigated the electronic structure of La{sub 0.7}Ca{sub 0.3}Mn{sub 1−X}Al{sub X}O{sub 3} (X=0, 0.15) epitaxial thin films by soft X-ray absorption spectroscopy technique using the surface sensitive total electron yield (TEY) mode.

  6. X-Ray Microscopy Capabilities | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    X-Ray Microscopy Capabilities The Hard X-Ray Nanoprobe (HXN) facility provides scanning fluorescence, scanning diffraction, and full-field transmission and tomographic imaging capabilities with a spatial resolution of 30 nm over a spectral range of 6-12 keV. Modes of Operation Full-Field Transmission Imaging and Nanotomography X-ray transmission imaging uses both the absorption and phase shift of the X-ray beam by the sample as contrast mechanisms. Absorption contrast is used to map the sample

  7. Magnetic properties of GdT2Zn20 (T = Fe, Co) investigated by x-ray diffraction and spectroscopy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    J. R. L. Mardegan; Fabbris, G.; Francoual, S.; Veiga, L. S. I.; Strempfer, J.; Haskel, D.; Ribeiro, R. A.; Avila, M. A.; Giles, C.

    2016-01-26

    In this study, we investigate the magnetic and electronic properties of the GdT2Zn20 (T=Fe and Co) compounds using x-ray resonant magnetic scattering (XRMS), x-ray absorption near-edge structure (XANES), and x-ray magnetic circular dichroism (XMCD). The XRMS measurements reveal that GdCo2Zn20 has a commensurate antiferromagnetic spin structure with a magnetic propagation vector →/τ = (12,12,12) below the Néel temperature (TN ~ 5.7 K). Only the Gd ions carry a magnetic moment forming an antiferromagnetic structure with magnetic representation Γ6. For the ferromagnetic GdFe2Zn20 compound, an extensive investigation was performed at low temperature and under magnetic field using XANES and XMCD. Amore » strong XMCD signal of about 12.5% and 9.7% is observed below the Curie temperature (TC ~ 85K) at the Gd L2 and L3 edges, respectively. In addition, a small magnetic signal of about 0.06% of the jump is recorded at the Zn K edge, suggesting that the Zn 4p states are spin polarized by the Gd 5d extended orbitals.« less

  8. X-ray photoemission electron microscopy for the study of semiconductor materials

    SciTech Connect (OSTI)

    Anders, S.; Stammler, T.; Padmore, H.; Terminello, L.J.; Jankowski, A.F.; Stohr, J.; Diaz, J.; Cossy-Gantner, A.

    1998-03-01

    Photoemission Electron Microscopy (PEEM) using X-rays is a novel combination of two established materials analysis techniques--PEEM using UV light, and Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy. This combination allows the study of elemental composition and bonding structure of the sample by NEXAFS spectroscopy with a high spatial resolution given by the microscope. A simple, two lens, 10 kV operation voltage PEEM has been used at the Stanford Synchrotron Radiation Laboratory and at the Advanced Light Source (ALS) in Berkeley to study various problems including materials of interest for the semiconductor industry. In the present paper the authors give a short overview over the method and the instrument which was used, and describe in detail a number of applications. These applications include the study of the different phases of titanium disilicide, various phases of boron nitride, and the analysis of small particles. A brief outlook is given on possible new fields of application of the PEEM technique, and the development of new PEEM instruments.

  9. PROPX: An X-ray Manipulation Program

    SciTech Connect (OSTI)

    Kyrala, G.A.

    1992-05-01

    An interactive micro-computer program that performs some manipulations on an input x-ray spectrum is introduced and described. The program is used to calculate the effect of absorption of filters, transmission through fibers, responsivity of photocathodes, responsivity of absorptive detectors, folding of responses, plotting of cross sections, and calculation, as a function of electron temperature, of the response due to a bremsstrahlung spectrum. Fluorescence from the targets is not included. Two different x-ray libraries are offered, one covers the x-ray range 30--10,000 eV with 288 energy points, and the other covers the energy range 10 eV to 1 MeV with 250 energy points per decade. 7 refs.

  10. Soft-x-ray

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Soft-x-ray emission, plasma equilibrium, and fluctuation studies on Madison Symmetric Torus C. Xiao Department of Physics, University of Wisconsin-Madison, Madison, Wisconsin and Department of Physics and Engineering Physics, University of Saskatchewan, Saskatoon, Canada P. Franz Consorzio RFX-Associazione EURATOM ENEA Sulla Fusione, Italy and Istituto Nazionale di Fisica della Materia, Unita' di Ricerca di Padova, Italy B. E. Chapman and D. Craig Department of Physics, University of

  11. X-ray magnetic circular dichroism at the U M{sub 4,5} absorption edges of UFe{sub 2}

    SciTech Connect (OSTI)

    Finazzi, M.; Sainctavit, P.; Dias, A.; Kappler, J.; Krill, G.; Sanchez, J.; Dalmas de Reotier, P.; Yaouanc, A.; Rogalev, A.; Goulon, J.

    1997-02-01

    We present an x-ray magnetic circular dichroism study performed at the U M{sub 4,5} edges on UFe{sub 2}, a ferromagnet with almost itinerant 5f electrons. The analysis of the branching ratio of the U M{sub 4,5} edges confirms the fact that the occupation number of the 5f states in UFe{sub 2} is lower than in other compounds where the f electrons are more localized. Magnetic circular dichroism effects are observed consistently with the presence of an orbital 5f magnetic moment which aligns parallel to the total magnetic moment. In agreement with a polarized neutron study, we find a nearly perfect cancellation of the U-5f spin and orbital magnetic moments, which results in a vanishing small total U-5f magnetic moment. Results are discussed in comparison with atomic multiplet calculations. {copyright} {ital 1997} {ital The American Physical Society}

  12. Fluctuation X-Ray Scattering

    SciTech Connect (OSTI)

    Saldin, PI: D. K.; Co-I's: J. C. H. Spence and P. Fromme

    2013-01-25

    The work supported by the grant was aimed at developing novel methods of finding the structures of biomolecules using x-rays from novel sources such as the x-ray free electron laser and modern synchrotrons

  13. Tunable X-ray source

    DOE Patents [OSTI]

    Boyce, James R.

    2011-02-08

    A method for the production of X-ray bunches tunable in both time and energy level by generating multiple photon, X-ray, beams through the use of Thomson scattering. The method of the present invention simultaneously produces two X-ray pulses that are tunable in energy and/or time.

  14. SMB, X-ray Emission Spectroscopy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    include X-ray Emission Spectroscopy (XES), Resonant Inelastic X-ray Scattering (RIXS), High Energy Resolution Fluorescence Detection (HERFD) and X-ray Raman Spectroscopy (XRS). ...

  15. X-ray lithography source

    DOE Patents [OSTI]

    Piestrup, M.A.; Boyers, D.G.; Pincus, C.

    1991-12-31

    A high-intensity, inexpensive X-ray source for X-ray lithography for the production of integrated circuits is disclosed. Foil stacks are bombarded with a high-energy electron beam of 25 to 250 MeV to produce a flux of soft X-rays of 500 eV to 3 keV. Methods of increasing the total X-ray power and making the cross section of the X-ray beam uniform are described. Methods of obtaining the desired X-ray-beam field size, optimum frequency spectrum and eliminating the neutron flux are all described. A method of obtaining a plurality of station operation is also described which makes the process more efficient and economical. The satisfying of these issues makes transition radiation an excellent moderate-priced X-ray source for lithography. 26 figures.

  16. X-ray lithography source

    DOE Patents [OSTI]

    Piestrup, Melvin A.; Boyers, David G.; Pincus, Cary

    1991-01-01

    A high-intensity, inexpensive X-ray source for X-ray lithography for the production of integrated circuits. Foil stacks are bombarded with a high-energy electron beam of 25 to 250 MeV to produce a flux of soft X-rays of 500 eV to 3 keV. Methods of increasing the total X-ray power and making the cross section of the X-ray beam uniform are described. Methods of obtaining the desired X-ray-beam field size, optimum frequency spectrum and elminating the neutron flux are all described. A method of obtaining a plurality of station operation is also described which makes the process more efficient and economical. The satisfying of these issues makes transition radiation an exellent moderate-priced X-ray source for lithography.

  17. X-ray spectroscopy of manganese clusters

    SciTech Connect (OSTI)

    Grush, M.M.

    1996-06-01

    Much of this thesis represents the groundwork necessary in order to probe Mn clusters more productively than with conventional Mn K-edge XAS and is presented in Part 1. Part 2 contains the application of x-ray techniques to Mn metalloproteins and includes a prognosis at the end of each chapter. Individual Mn oxidation states are more readily distinguishable in Mn L-edge spectra. An empirical mixed valence simulation routine for determining the average Mn oxidation state has been developed. The first Mn L-edge spectra of a metalloprotein were measured and interpreted. The energy of Mn K{beta} emission is strongly correlated with average Mn oxidation state. K{beta} results support oxidation states of Mn(III){sub 2}(IV){sub 2} for the S{sub 1} state of Photosystem II chemical chemically reduced preparations contain predominantly Mn(II). A strength and limitation of XAS is that it probes all of the species of a particular element in a sample. It would often be advantageous to selectively probe different forms of the same element. The first demonstration that chemical shifts in x-ray fluorescence energies can be used to obtain oxidation state-selective x-ray absorption spectra is presented. Spin-dependent spectra can also be used to obtain a more simplified picture of local structure. The first spin-polarized extended x-ray absorption fine structure using Mn K{beta} fluorescence detection is shown.

  18. Resonant Soft X-Ray Scattering - Combining Structural with Spectroscop...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    28, 2012 - 10:00am SLAC, Bldg. 137, Room 322 SSRL Presents Kevin Stone X-ray absorption spectroscopy has become an important tool in understanding the electronic structure...

  19. Using Light to Control How X Rays Interact with Matter

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Radiation damage due to x-ray absorption is, for instance, an unwanted consequence of ... Laser optics provides a possible path for addressing this issue, as well as for developing ...

  20. Solar X-ray physics

    SciTech Connect (OSTI)

    Bornmann, P.L. )

    1991-01-01

    Research on solar X-ray phenomena performed by American scientists during 1987-1990 is reviewed. Major topics discussed include solar images observed during quiescent times, the processes observed during solar flares, and the coronal, interplanetary, and terrestrial phenomena associated with solar X-ray flares. Particular attention is given to the hard X-ray emission observed at the start of the flare, the energy transfer to the soft X-ray emitting plasma, the late resolution of the flare as observed in soft X-ray, and the rate of occurrence of solar flares as a function of time and latitude. Pertinent aspects of nonflaring, coronal X-ray emission and stellar flares are also discussed. 175 refs.

  1. Miniature x-ray source

    DOE Patents [OSTI]

    Trebes, James E.; Stone, Gary F.; Bell, Perry M.; Robinson, Ronald B.; Chornenky, Victor I.

    2002-01-01

    A miniature x-ray source capable of producing broad spectrum x-ray emission over a wide range of x-ray energies. The miniature x-ray source comprises a compact vacuum tube assembly containing a cathode, an anode, a high voltage feedthru for delivering high voltage to the anode, a getter for maintaining high vacuum, a connection for an initial vacuum pump down and crimp-off, and a high voltage connection for attaching a compact high voltage cable to the high voltage feedthru. At least a portion of the vacuum tube wall is highly x-ray transparent and made, for example, from boron nitride. The compact size and potential for remote operation allows the x-ray source, for example, to be placed adjacent to a material sample undergoing analysis or in proximity to the region to be treated for medical applications.

  2. X-ray compass for determining device orientation

    DOE Patents [OSTI]

    Da Silva, L.B.; Matthews, D.L.; Fitch, J.P.; Everett, M.J.; Colston, B.W.; Stone, G.F.

    1999-06-15

    An apparatus and method for determining the orientation of a device with respect to an x-ray source are disclosed. In one embodiment, the present invention is coupled to a medical device in order to determine the rotational orientation of the medical device with respect to the x-ray source. In such an embodiment, the present invention is comprised of a scintillator portion which is adapted to emit photons upon the absorption of x-rays emitted from the x-ray source. An x-ray blocking portion is coupled to the scintillator portion. The x-ray blocking portion is disposed so as to vary the quantity of x-rays which penetrate the scintillator portion based upon the particular rotational orientation of the medical device with respect to the x-ray source. A photon transport mechanism is also coupled to the scintillator portion. The photon transport mechanism is adapted to pass the photons emitted from the scintillator portion to an electronics portion. By analyzing the quantity of the photons, the electronics portion determines the rotational orientation of the medical device with respect to the x-ray source. 25 figs.

  3. X-ray compass for determining device orientation

    DOE Patents [OSTI]

    Da Silva, Luiz B.; Matthews, Dennis L.; Fitch, Joseph P.; Everett, Matthew J.; Colston, Billy W.; Stone, Gary F.

    1999-01-01

    An apparatus and method for determining the orientation of a device with respect to an x-ray source. In one embodiment, the present invention is coupled to a medical device in order to determine the rotational orientation of the medical device with respect to the x-ray source. In such an embodiment, the present invention is comprised of a scintillator portion which is adapted to emit photons upon the absorption of x-rays emitted from the x-ray source. An x-ray blocking portion is coupled to the scintillator portion. The x-ray blocking portion is disposed so as to vary the quantity of x-rays which penetrate the scintillator portion based upon the particular rotational orientation of the medical device with respect to the x-ray source. A photon transport mechanism is also coupled to the scintillator portion. The photon transport mechanism is adapted to pass the photons emitted from the scintillator portion to an electronics portion. By analyzing the quantity of the photons, the electronics portion determines the rotational orientation of the medical device with respect to the x-ray source.

  4. X-Ray Science Education

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    TV Network external link DNA Interactive external link Reciprocal Net external link X-ray Science Courses and Programs Various educational efforts are closely related to the...

  5. Ground-state wave function of plutonium in PuSb as determined via x-ray magnetic circular dichroism

    SciTech Connect (OSTI)

    Janoschek, M.; Haskel, D.; Fernandez-Rodriguez, J.; van Veenendaal, M.; Rebizant, J.; Lander, G. H.; Zhu, J. -X.; Thompson, J. D.; Bauer, E. D.

    2015-01-01

    Measurements of x-ray magnetic circular dichroism (XMCD) and x-ray absorption near-edge structure (XANES) spectroscopy at the Pu M?,? edges of the ferromagnet PuSb are reported. Using bulk magnetization measurements and a sum rule analysis of the XMCD spectra, we determine the individual orbital [?L = 2.8(1)?B/Pu] and spin moments [?S = ?2.0(1)?B/Pu] of the Pu 5f electrons for the first time. Atomic multiplet calculations of the XMCD and XANES spectra reproduce well the experimental data and are consistent with the experimental value of the spin moment. These measurements of ?Lz? and ?Sz? are in excellent agreement with the values that have been extracted from neutron magnetic form factor measurements, and confirm the local character of the 5f electrons in PuSb. Finally, we demonstrate that a split M? as well as a narrow M? XMCD signal may serve as a signature of 5f electron localization in actinide compounds.

  6. Ground-state wave function of plutonium in PuSb as determined via x-ray magnetic circular dichroism

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Janoschek, M.; Haskel, D.; Fernandez-Rodriguez, J.; van Veenendaal, M.; Rebizant, J.; Lander, G. H.; Zhu, J. -X.; Thompson, J. D.; Bauer, E. D.

    2015-01-14

    Measurements of x-ray magnetic circular dichroism (XMCD) and x-ray absorption near-edge structure (XANES) spectroscopy at the Pu M₄,₅ edges of the ferromagnet PuSb are reported. Using bulk magnetization measurements and a sum rule analysis of the XMCD spectra, we determine the individual orbital [μL = 2.8(1)μB/Pu] and spin moments [μS = –2.0(1)μB/Pu] of the Pu 5f electrons for the first time. Atomic multiplet calculations of the XMCD and XANES spectra reproduce well the experimental data and are consistent with the experimental value of the spin moment. These measurements of Lz and Sz are in excellent agreement with the values thatmore » have been extracted from neutron magnetic form factor measurements, and confirm the local character of the 5f electrons in PuSb. We demonstrate that a split M₅ as well as a narrow M₄ XMCD signal may serve as a signature of 5f electron localization in actinide compounds.« less

  7. Opacity of iron, nickel, and copper plasmas in the x-ray wavelength range: Theoretical interpretation of 2p-3d absorption spectra

    SciTech Connect (OSTI)

    Blenski, T.; Loisel, G.; Poirier, M.; Thais, F.; Arnault, P.; Caillaud, T.; Fariaut, J.; Gilleron, F.; Pain, J.-C.; Porcherot, Q.; Reverdin, C.; Silvert, V.; Villette, B.; Bastiani-Ceccotti, S.; Turck-Chieze, S.; Foelsner, W.; Gaufridy de Dortan, F. de

    2011-09-15

    This paper deals with theoretical studies on the 2p-3d absorption in iron, nickel, and copper plasmas related to LULI2000 (Laboratoire pour l'Utilisation des Lasers Intenses, 2000J facility) measurements in which target temperatures were of the order of 20 eV and plasma densities were in the range 0.004-0.01 g/cm{sup 3}. The radiatively heated targets were close to local thermodynamic equilibrium (LTE). The structure of 2p-3d transitions has been studied with the help of the statistical superconfiguration opacity code sco and with the fine-structure atomic physics codes hullac and fac. A new mixed version of the sco code allowing one to treat part of the configurations by detailed calculation based on the Cowan's code rcg has been also used in these comparisons. Special attention was paid to comparisons between theory and experiment concerning the term features which cannot be reproduced by sco. The differences in the spin-orbit splitting and the statistical (thermal) broadening of the 2p-3d transitions have been investigated as a function of the atomic number Z. It appears that at the conditions of the experiment the role of the term and configuration broadening was different in the three analyzed elements, this broadening being sensitive to the atomic number. Some effects of the temperature gradients and possible non-LTE effects have been studied with the help of the radiative-collisional code scric. The sensitivity of the 2p-3d structures with respect to temperature and density in medium-Z plasmas may be helpful for diagnostics of LTE plasmas especially in future experiments on the {Delta}n=0 absorption in medium-Z plasmas for astrophysical applications.

  8. X-ray shearing interferometer

    DOE Patents [OSTI]

    Koch, Jeffrey A.

    2003-07-08

    An x-ray interferometer for analyzing high density plasmas and optically opaque materials includes a point-like x-ray source for providing a broadband x-ray source. The x-rays are directed through a target material and then are reflected by a high-quality ellipsoidally-bent imaging crystal to a diffraction grating disposed at 1.times. magnification. A spherically-bent imaging crystal is employed when the x-rays that are incident on the crystal surface are normal to that surface. The diffraction grating produces multiple beams which interfere with one another to produce an interference pattern which contains information about the target. A detector is disposed at the position of the image of the target produced by the interfering beams.

  9. High resolution, multiple-energy linear sweep detector for x-ray imaging

    DOE Patents [OSTI]

    Perez-Mendez, Victor; Goodman, Claude A.

    1996-01-01

    Apparatus for generating plural electrical signals in a single scan in response to incident X-rays received from an object. Each electrical signal represents an image of the object at a different range of energies of the incident X-rays. The apparatus comprises a first X-ray detector, a second X-ray detector stacked upstream of the first X-ray detector, and an X-ray absorber stacked upstream of the first X-ray detector. The X-ray absorber provides an energy-dependent absorption of the incident X-rays before they are incident at the first X-ray detector, but provides no absorption of the incident X-rays before they are incident at the second X-ray detector. The first X-ray detector includes a linear array of first pixels, each of which produces an electrical output in response to the incident X-rays in a first range of energies. The first X-ray detector also includes a circuit that generates a first electrical signal in response to the electrical output of each of the first pixels. The second X-ray detector includes a linear array of second pixels, each of which produces an electrical output in response to the incident X-rays in a second range of energies, broader than the first range of energies. The second X-ray detector also includes a circuit that generates a second electrical signal in response to the electrical output of each of the second pixels.

  10. High resolution, multiple-energy linear sweep detector for x-ray imaging

    DOE Patents [OSTI]

    Perez-Mendez, V.; Goodman, C.A.

    1996-08-20

    Apparatus is disclosed for generating plural electrical signals in a single scan in response to incident X-rays received from an object. Each electrical signal represents an image of the object at a different range of energies of the incident X-rays. The apparatus comprises a first X-ray detector, a second X-ray detector stacked upstream of the first X-ray detector, and an X-ray absorber stacked upstream of the first X-ray detector. The X-ray absorber provides an energy-dependent absorption of the incident X-rays before they are incident at the first X-ray detector, but provides no absorption of the incident X-rays before they are incident at the second X-ray detector. The first X-ray detector includes a linear array of first pixels, each of which produces an electrical output in response to the incident X-rays in a first range of energies. The first X-ray detector also includes a circuit that generates a first electrical signal in response to the electrical output of each of the first pixels. The second X-ray detector includes a linear array of second pixels, each of which produces an electrical output in response to the incident X-rays in a second range of energies, broader than the first range of energies. The second X-ray detector also includes a circuit that generates a second electrical signal in response to the electrical output of each of the second pixels. 12 figs.

  11. The Structure of Interfacial Water on Gold Electrodes Studied by X-ray

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Absorption Spectroscopy - Joint Center for Energy Storage Research October 23, 2014, Research Highlights The Structure of Interfacial Water on Gold Electrodes Studied by X-ray Absorption Spectroscopy Schematic representation of X-ray absorption measurements at the biased gold water interface. X-rays arrive from the left and transmit through a thin silicon nitride window plated with gold. Fluorescence provides information far from the interface while it was discovered that electron yield is

  12. X-Ray Interactions with Matter from the Center for X-Ray Optics (CXRO)

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Henke, B. L.; Gullikson, E. M.; Davis, J. C.

    The primary interactions of low-energy x-rays within condensed matter, viz. photoabsorption and coherent scattering, are described for photon energies outside the absorption threshold regions by using atomic scattering factors. The atomic scattering factors may be accurately determined from the atomic photoabsorption cross sections using modified Kramers-Kronig dispersion relations. From a synthesis of the currently available experimental data and recent theoretical calculations for photoabsorption, the angle-independent, forward-scattering components of the atomic scattering factors have been thus semiempirically determined and tabulated here for 92 elements and for the region 50-30,000 eV. Atomic scattering factors for all angles of coherent scattering and at the higher photon energies are obtained from these tabulated forward-scattering values by adding a simple angle-dependent form-factor correction. The incoherent scattering contributions that become significant for the light elements at the higher photon energies are similarly determined. The basic x-ray interaction relations that are used in applied x-ray physics are presented here in terms of the atomic scattering factors. The bulk optical constants are also related to the atomic scattering factors. These atomic and optical relations are applied to the detailed calculation of the reflectivity characteristics of a series of practical x-ray mirror, multilayer, and crystal monochromators. Comparisons of the results of this semiempirical,"atom-like", description of x-ray interactions for the low-energy region with those of experiment and ab initio theory are presented.

  13. Core and Valence Excitations in Resonant X-ray Spectroscopy using...

    Office of Scientific and Technical Information (OSTI)

    Window Time-dependent Density Functional Theory Citation Details In-Document Search ... Window Time-dependent Density Functional Theory We report simulations of X-ray absorption ...

  14. Resonant x-ray magnetic scattering in holmium

    SciTech Connect (OSTI)

    Gibbs, D.

    1991-01-01

    We review the results of resonant x-ray magnetic scattering experiments on the rare earth metal holmium. When the incident incident x-ray energy is tuned near the L{sub III} absorption edge, large resonant enhancements of the magnetic scattering and resonant integer harmonics are observed. These results are analyzed within the theory of x-ray resonance exchange scattering assuming electric dipole (2p {yields} 5d) and quadrupole (2p {yields} 4f) transitions among atomic orbitals. 30 refs., 5 figs.

  15. Apparatus for obtaining an X-ray image

    DOE Patents [OSTI]

    Watanabe, Eiji

    1979-01-01

    A computed tomography apparatus in which a fan-shaped X-ray beam is caused to pass through a section of an object, enabling absorption detection on the opposite side of the object by a detector comprising a plurality of discrete detector elements. An electron beam generating the X-ray beam by impacting upon a target is caused to rotate over the target.

  16. Structural Analysis of the Mn(IV)/Fe(III) Cofactor of Chlamydia Trachomatis Ribonucleotide Reductase By Extended X-Ray Absorption Fine Structure Spectroscopy And Density Functional Theory Calculations

    SciTech Connect (OSTI)

    Younker, J.M.; Krest, C.M.; Jiang, W.; Krebs, C.; Bollinger, J.M.Jr.; Green, M.T.

    2009-05-28

    The class Ic ribonucleotide reductase from Chlamydia trachomatis (C{bar A}) uses a stable Mn(lV)/ Fe(lll) cofactor to initiate nucleotide reduction by a free-radical mechanism. Extended X-ray absorption fine structure (EXAFS) spectroscopy and density functional theory (DFT) calculations are used to postulate a structure for this cofactor. Fe and Mn K-edge EXAFS data yield an intermetallic distance of -2.92 {angstrom}. The Mn data also suggest the presence of a short 1.74 {angstrom} Mn-O bond. These metrics are compared to the results of DFT calculations on 12 cofactor models derived from the crystal structure of the inactive Fe2(lll/ III) form of the protein. Models are differentiated by the protonation states of their bridging and terminal OH{sub x} ligands as well as the location of the Mn(lV) ion (site 1 or 2). The models that agree best with experimental observation feature a{mu}-1, 3-carboxylate bridge (E120), terminal solvent (H{sub 2}O/OH) to site 1, one {mu}-O bridge, and one {mu}-OH bridge. The site-placement of the metal ions cannot be discerned from the available data.

  17. Miniature x-ray source

    DOE Patents [OSTI]

    Trebes, James E.; Bell, Perry M.; Robinson, Ronald B.

    2000-01-01

    A miniature x-ray source utilizing a hot filament cathode. The source has a millimeter scale size and is capable of producing broad spectrum x-ray emission over a wide range of x-ray energies. The miniature source consists of a compact vacuum tube assembly containing the hot filament cathode, an anode, a high voltage feedthru for delivering high voltage to the cathode, a getter for maintaining high vacuum, a connector for initial vacuum pump down and crimp-off, and a high voltage connection for attaching a compact high voltage cable to the high voltage feedthru. At least a portion of the vacuum tube wall is fabricated from highly x-ray transparent materials, such as sapphire, diamond, or boron nitride.

  18. X-ray microtomographic scanners

    SciTech Connect (OSTI)

    Syryamkin, V. I. Klestov, S. A.

    2015-11-17

    The article studies the operating procedures of an X-ray microtomographic scanner and the module of reconstruction and analysis 3D-image of a test sample in particular. An algorithm for 3D-image reconstruction based on image shadow projections and mathematical methods of the processing are described. Chapter 1 describes the basic principles of X-ray tomography and general procedures of the device developed. Chapters 2 and 3 are devoted to the problem of resources saving by the system during the X-ray tomography procedure, which is achieved by preprocessing of the initial shadow projections. Preprocessing includes background noise removing from the images, which reduces the amount of shadow projections in general and increases the efficiency of the group shadow projections compression. In conclusion, the main applications of X-ray tomography are presented.

  19. X-Ray Interactions with Matter from the Center for X-Ray Optics...

    Office of Scientific and Technical Information (OSTI)

    X-Ray Interactions with Matter from the Center for X-Ray Optics (CXRO) Title: X-Ray Interactions with Matter from the Center for X-Ray Optics (CXRO) The primary interactions of ...

  20. Electromechanical x-ray generator

    DOE Patents [OSTI]

    Watson, Scott A; Platts, David; Sorensen, Eric B

    2016-05-03

    An electro-mechanical x-ray generator configured to obtain high-energy operation with favorable energy-weight scaling. The electro-mechanical x-ray generator may include a pair of capacitor plates. The capacitor plates may be charged to a predefined voltage and may be separated to generate higher voltages on the order of hundreds of kV in the AK gap. The high voltage may be generated in a vacuum tube.

  1. Soft-x-ray spectroscopy study of nanoscale materials

    SciTech Connect (OSTI)

    Guo, J.-H.

    2005-07-30

    The ability to control the particle size and morphology of nanoparticles is of crucial importance nowadays both from a fundamental and industrial point of view considering the tremendous amount of high-tech applications. Controlling the crystallographic structure and the arrangement of atoms along the surface of nanostructured material will determine most of its physical properties. In general, electronic structure ultimately determines the properties of matter. Soft X-ray spectroscopy has some basic features that are important to consider. X-ray is originating from an electronic transition between a localized core state and a valence state. As a core state is involved, elemental selectivity is obtained because the core levels of different elements are well separated in energy, meaning that the involvement of the inner level makes this probe localized to one specific atomic site around which the electronic structure is reflected as a partial density-of-states contribution. The participation of valence electrons gives the method chemical state sensitivity and further, the dipole nature of the transitions gives particular symmetry information. The new generation synchrotron radiation sources producing intensive tunable monochromatized soft X-ray beams have opened up new possibilities for soft X-ray spectroscopy. The introduction of selectively excited soft X-ray emission has opened a new field of study by disclosing many new possibilities of soft X-ray resonant inelastic scattering. In this paper, some recent findings regarding soft X-ray absorption and emission studies of various nanostructured systems are presented.

  2. Removal of Ca2+ from the Oxygen-Evolving Complex in Photosystem II Has Minimal Effect on the Mn4O5 Core Structure: A Polarized Mn X-ray Absorption Spectroscopy Study

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lohmiller, Thomas; Shelby, Megan L.; Long, Xi; Yachandra, Vittal K.; Yano, Junko

    2015-05-19

    We studied Ca2+ -depleted and Ca2+ -reconstituted spinach photosystem II using polarized X-ray absorption spectroscopy of oriented PS II preparations to investigate the structural and functional role of the Ca2+ ion in the Mn4O5Ca cluster of the oxygen-evolving complex (OEC). Samples were prepared by low pH/citrate treatment as one-dimensionally ordered membrane layers and poised in the Ca2+ -depleted S1 (S1') and S2 (S2') states, the S2'YZ• state, at which point the catalytic cycle of water oxidation is inhibited, and the Ca2+ -reconstituted S1 state. Polarized Mn K-edge XANES and EXAFS spectra exhibit pronounced dichroism. Polarized EXAFS data of all statesmore » of Ca2+ -depleted PS II investigated show only minor changes in distances and orientations of the Mn-Mn vectors compared to the Ca2+ -containing OEC, which may be attributed to some loss of rigidity of the core structure. Thus, removal of the Ca2+ ion does not lead to fundamental distortion or rearrangement of the tetranuclear Mn cluster, which indicates that the Ca2+ ion in the OEC is not critical for structural maintenance of the cluster, at least in the S1 and S2 states, but fulfills a crucial catalytic function in the mechanism of the water oxidation reaction. On the basis of this structural information, reasons for the inhibitory effect of Ca2+ removal are discussed, attributing to the Ca2+ ion a fundamental role in organizing the surrounding (substrate) water framework and in proton-coupled electron transfer to YZ• (D1-Tyr161).« less

  3. Compact x-ray source and panel

    DOE Patents [OSTI]

    Sampayon, Stephen E.

    2008-02-12

    A compact, self-contained x-ray source, and a compact x-ray source panel having a plurality of such x-ray sources arranged in a preferably broad-area pixelized array. Each x-ray source includes an electron source for producing an electron beam, an x-ray conversion target, and a multilayer insulator separating the electron source and the x-ray conversion target from each other. The multi-layer insulator preferably has a cylindrical configuration with a plurality of alternating insulator and conductor layers surrounding an acceleration channel leading from the electron source to the x-ray conversion target. A power source is connected to each x-ray source of the array to produce an accelerating gradient between the electron source and x-ray conversion target in any one or more of the x-ray sources independent of other x-ray sources in the array, so as to accelerate an electron beam towards the x-ray conversion target. The multilayer insulator enables relatively short separation distances between the electron source and the x-ray conversion target so that a thin panel is possible for compactness. This is due to the ability of the plurality of alternating insulator and conductor layers of the multilayer insulators to resist surface flashover when sufficiently high acceleration energies necessary for x-ray generation are supplied by the power source to the x-ray sources.

  4. Focused X-ray source

    DOE Patents [OSTI]

    Piestrup, M.A.; Boyers, D.G.; Pincus, C.I.; Maccagno, P.

    1990-08-21

    Disclosed is an intense, relatively inexpensive X-ray source (as compared to a synchrotron emitter) for technological, scientific, and spectroscopic purposes. A conical radiation pattern produced by a single foil or stack of foils is focused by optics to increase the intensity of the radiation at a distance from the conical radiator. 8 figs.

  5. Focused X-ray source

    DOE Patents [OSTI]

    Piestrup, Melvin A.; Boyers, David G.; Pincus, Cary I.; Maccagno, Pierre

    1990-01-01

    An intense, relatively inexpensive X-ray source (as compared to a synchrotron emitter) for technological, scientific, and spectroscopic purposes. A conical radiation pattern produced by a single foil or stack of foils is focused by optics to increase the intensity of the radiation at a distance from the conical radiator.

  6. Magnetic structures of FeTiO{sub 3}-Fe{sub 2}O{sub 3} solid solution thin films studied by soft X-ray magnetic circular dichroism and ab initio multiplet calculations

    SciTech Connect (OSTI)

    Hojo, H. E-mail: fujita@dipole7.kuic.kyoto-u.ac.jp; Fujita, K. E-mail: fujita@dipole7.kuic.kyoto-u.ac.jp; Matoba, T.; Tanaka, K.; Ikeno, H.; Mizoguchi, T.; Tanaka, I.; Nakamura, T.; Takeda, Y.; Okane, T.

    2014-03-17

    The solid solutions between ilmenite (FeTiO{sub 3}) and hematite (α-Fe{sub 2}O{sub 3}) have recently attracted considerable attention as a spintronic material due to their interesting magnetic and electrical properties. In this study, the electronic and magnetic structures of epitaxially grown 0.6FeTiO{sub 3}·0.4Fe{sub 2}O{sub 3} solid solution thin films were investigated by combining x-ray absorption near-edge structure (XANES), x-ray magnetic circular dichroism (XMCD) for two different crystallographic projections, and first-principles theoretical calculations. The Fe L-edge XANES and XMCD spectra reveal that Fe is in the mixed-valent Fe{sup 2+}–Fe{sup 3+} states while Fe{sup 2+} ions are mainly responsible for the magnetization. Moreover, the experimental Fe L-edge XANES and XMCD spectra change depending on the incident x-ray directions, and the theoretical spectra explain such spectral features. We also find a large orbital magnetic moment, which can originate the magnetic anisotropy of this system. On the other hand, although the valence state of Ti was interpreted to be 4+ from the Ti L-edge XANES, XMCD signals indicate that some electrons are present in the Ti-3d orbital, which are coupled antiparallel to the magnetic moment of Fe{sup 2+} ions.

  7. Method and apparatus for molecular imaging using x-rays at resonance wavelengths

    DOE Patents [OSTI]

    Chapline, G.F. Jr.

    Holographic x-ray images are produced representing the molecular structure of a microscopic object, such as a living cell, by directing a beam of coherent x-rays upon the object to produce scattering of the x-rays by the object, producing interference on a recording medium between the scattered x-rays from the object and unscattered coherent x-rays and thereby producing holograms on the recording surface, and establishing the wavelength of the coherent x-rays to correspond with a molecular resonance of a constituent of such object and thereby greatly improving the contrast, sensitivity and resolution of the holograms as representations of molecular structures involving such constituent. For example, the coherent x-rays may be adjusted to the molecular resonant absorption line of nitrogen at about 401.3 eV to produce holographic images featuring molecular structures involving nitrogen.

  8. Method and apparatus for molecular imaging using X-rays at resonance wavelengths

    DOE Patents [OSTI]

    Chapline, Jr., George F.

    1985-01-01

    Holographic X-ray images are produced representing the molecular structure of a microscopic object, such as a living cell, by directing a beam of coherent X-rays upon the object to produce scattering of the X-rays by the object, producing interference on a recording medium between the scattered X-rays from the object and unscattered coherent X-rays and thereby producing holograms on the recording surface, and establishing the wavelength of the coherent X-rays to correspond with a molecular resonance of a constituent of such object and thereby greatly improving the contrast, sensitivity and resolution of the holograms as representations of molecular structures involving such constituent. For example, the coherent X-rays may be adjusted to the molecular resonant absorption line of nitrogen at about 401.3 eV to produce holographic images featuring molecular structures involving nitrogen.

  9. Structural characterization of Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} as a function of temperature using neutron powder diffraction and extended X-ray absorption fine structure techniques

    SciTech Connect (OSTI)

    Mansour, A. N.; Wong-Ng, W.; Huang, Q.; Tang, W.; Thompson, A.; Sharp, J.

    2014-08-28

    The structure of Bi{sub 2}Te{sub 3} (Seebeck coefficient Standard Reference Material (SRM™ 3451)) and the related phase Sb{sub 2}Te{sub 3} have been characterized as a function of temperature using the neutron powder diffraction (NPD) and the extended X-ray absorption fine structure (EXAFS) techniques. The neutron structural studies were carried out from 20 K to 300 K for Bi{sub 2}Te{sub 3} and from 10 K to 298 K for Sb{sub 2}Te{sub 3}. The EXAFS technique for studying the local structure of the two compounds was conducted from 19 K to 298 K. Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} are isostructural, with a space group of R3{sup ¯}m. The structure consists of repeated quintuple layers of atoms, Te2-M-Te1-M-Te2 (where M = Bi or Sb) stacking along the c-axis of the unit cell. EXAFS was used to examine the bond distances and static and thermal disorders for the first three shells of Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} as a function of temperature. The temperature dependencies of thermal disorders were analyzed using the Debye and Einstein models for lattice vibrations. The Debye and Einstein temperatures for the first two shells of Bi{sub 2}Te{sub 3} are similar to those of Sb{sub 2}Te{sub 3} within the uncertainty in the data. However, the Debye and Einstein temperatures for the third shell of Bi-Bi are significantly lower than those of the third shell of Sb-Sb. The Einstein temperature for the third shell is consistent with a soft phonon mode in both Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3}. The lower Einstein temperature of Bi-Bi relative to Sb-Sb is consistent with the lower value of thermal conductivity of Bi{sub 2}Te{sub 3} relative to Sb{sub 2}Te{sub 3}.

  10. Reabsorption of Soft X-Ray Emission at High X-Ray Free-Electron...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Reabsorption of Soft X-Ray Emission at High X-Ray Free-Electron Laser Fluences Citation Details In-Document Search Title: Reabsorption of Soft X-Ray Emission at ...

  11. Hard x-ray delay line for x-ray photon correlation spectroscopy...

    Office of Scientific and Technical Information (OSTI)

    Hard x-ray delay line for x-ray photon correlation spectroscopy and jitter-free pump-probe experiments at LCLS Citation Details In-Document Search Title: Hard x-ray delay line for...

  12. A computational study of x-ray emission from high-Z x-ray sources...

    Office of Scientific and Technical Information (OSTI)

    A computational study of x-ray emission from high-Z x-ray sources on the National Ignition Facility laser Citation Details In-Document Search Title: A computational study of x-ray ...

  13. A computational study of x-ray emission from high-Z x-ray sources...

    Office of Scientific and Technical Information (OSTI)

    study of x-ray emission from high-Z x-ray sources on the National Ignition Facility laser Citation Details In-Document Search Title: A computational study of x-ray emission...

  14. Microgap x-ray detector

    DOE Patents [OSTI]

    Wuest, Craig R.; Bionta, Richard M.; Ables, Elden

    1994-01-01

    An x-ray detector which provides for the conversion of x-ray photons into photoelectrons and subsequent amplification of these photoelectrons through the generation of electron avalanches in a thin gas-filled region subject to a high electric potential. The detector comprises a cathode (photocathode) and an anode separated by the thin, gas-filled region. The cathode may comprise a substrate, such a beryllium, coated with a layer of high atomic number material, such as gold, while the anode can be a single conducting plane of material, such as gold, or a plane of resistive material, such as chromium/silicon monoxide, or multiple areas of conductive or resistive material, mounted on a substrate composed of glass, plastic or ceramic. The charge collected from each electron avalanche by the anode is passed through processing electronics to a point of use, such as an oscilloscope.

  15. Microgap x-ray detector

    DOE Patents [OSTI]

    Wuest, C.R.; Bionta, R.M.; Ables, E.

    1994-05-03

    An x-ray detector is disclosed which provides for the conversion of x-ray photons into photoelectrons and subsequent amplification of these photoelectrons through the generation of electron avalanches in a thin gas-filled region subject to a high electric potential. The detector comprises a cathode (photocathode) and an anode separated by the thin, gas-filled region. The cathode may comprise a substrate, such a beryllium, coated with a layer of high atomic number material, such as gold, while the anode can be a single conducting plane of material, such as gold, or a plane of resistive material, such as chromium/silicon monoxide, or multiple areas of conductive or resistive material, mounted on a substrate composed of glass, plastic or ceramic. The charge collected from each electron avalanche by the anode is passed through processing electronics to a point of use, such as an oscilloscope. 3 figures.

  16. X-ray and vibrational spectroscopy of manganese complexes relevant to the oxygen-evolving complex of photosynthesis

    SciTech Connect (OSTI)

    Visser, Hendrik

    2001-05-16

    Manganese model complexes, relevant to the oxygen-evolving complex (OEC) in photosynthesis, were studied with Mn K-edge X-ray absorption near-edge spectroscopy (XANES), Mn Kb X-ray emission spectroscopy (XES), and vibrational spectroscopy. A more detailed understanding was obtained of the influence of nuclearity, overall structure, oxidation state, and ligand environment of the Mn atoms on the spectra from these methods. This refined understanding is necessary for improving the interpretation of spectra of the OEC. Mn XANES and Kb XES were used to study a di-(mu)-oxo and a mono-(mu)-oxo di-nuclear Mn compound in the (III,III), (III,IV), and (IV,IV) oxidation states. XANES spectra show energy shifts of 0.8 - 2.2 eV for 1-electron oxidation-state changes and 0.4 - 1.8 eV for ligand-environment changes. The shifts observed for Mn XES spectra were approximately 0.21 eV for oxidation state-changes and only approximately 0.04 eV for ligand-environment changes. This indicates that Mn Kb XES i s more sensitive to the oxidation state and less sensitive to the ligand environment of the Mn atoms than XANES. These complimentary methods provide information about the oxidation state and the ligand environment of Mn atoms in model compounds and biological systems. A versatile spectroelectrochemical apparatus was designed to aid the interpretation of IR spectra of Mn compounds in different oxidation states. The design, based on an attenuated total reflection device, permits the study of a wide spectral range: 16,700 (600 nm) - 225

  17. Lensless X-Ray Imaging in Reflection

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    X-Ray Imaging in Reflection Print The advent of x-ray free-electron laser (XFEL) light ... wavelengths relevant to atomic and molecular phenomena) with the advantages of ...

  18. Producing X-rays at the APS

    ScienceCinema (OSTI)

    None

    2013-04-19

    An introduction and overview of the Advanced Photon Source at Argonne National Laboratory, the technology that produces the brightest X-ray beams in the Western Hemisphere, and the research carried out by scientists using those X-rays.

  19. X-Ray Nanoimaging: Instruments and Methods

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    X-Ray Nanoimaging: Instruments and Methods X-Ray Nanoimaging: Instruments and Methods Print To be held as part of SPIE. http://spie.org/OP318 August 28-29, 2013; San Diego, California, USA

  20. Neutron and X-ray Scattering

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Neutron and X-ray Scattering Neutron and X-ray Scattering When used together, neutrons and high-energy x-rays provide a supremely powerful scientific tool for mining details about the structure of materials. Combining neutrons and high-energy x-rays to explore the frontiers of materials in extreme environments. Illuminating previously inaccessible time and spatial scales. Enabling in situ research to design, discover, and control materials. Get Expertise Donald Brown Email Pushing the limits of

  1. Lensless X-Ray Imaging in Reflection

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Lensless X-Ray Imaging in Reflection Print The advent of x-ray free-electron laser (XFEL) light sources has led to an outburst of research activities in the field of lensless imaging. XFELs combine the advantages of sychrotron light sources (high brightness and x-ray wavelengths relevant to atomic and molecular phenomena) with the advantages of visible-light lasers (highly coherent beams). All of these characteristics are important for coherent x-ray diffraction imaging-lensless imaging

  2. Lensless X-Ray Imaging in Reflection

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Lensless X-Ray Imaging in Reflection Print The advent of x-ray free-electron laser (XFEL) light sources has led to an outburst of research activities in the field of lensless imaging. XFELs combine the advantages of sychrotron light sources (high brightness and x-ray wavelengths relevant to atomic and molecular phenomena) with the advantages of visible-light lasers (highly coherent beams). All of these characteristics are important for coherent x-ray diffraction imaging-lensless imaging

  3. Lensless X-Ray Imaging in Reflection

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Lensless X-Ray Imaging in Reflection Print The advent of x-ray free-electron laser (XFEL) light sources has led to an outburst of research activities in the field of lensless imaging. XFELs combine the advantages of sychrotron light sources (high brightness and x-ray wavelengths relevant to atomic and molecular phenomena) with the advantages of visible-light lasers (highly coherent beams). All of these characteristics are important for coherent x-ray diffraction imaging-lensless imaging

  4. Phase-sensitive X-ray imager

    DOE Patents [OSTI]

    Baker, Kevin Louis

    2013-01-08

    X-ray phase sensitive wave-front sensor techniques are detailed that are capable of measuring the entire two-dimensional x-ray electric field, both the amplitude and phase, with a single measurement. These Hartmann sensing and 2-D Shear interferometry wave-front sensors do not require a temporally coherent source and are therefore compatible with x-ray tubes and also with laser-produced or x-pinch x-ray sources.

  5. Lensless X-Ray Imaging in Reflection

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Lensless X-Ray Imaging in Reflection Print The advent of x-ray free-electron laser (XFEL) light sources has led to an outburst of research activities in the field of lensless imaging. XFELs combine the advantages of sychrotron light sources (high brightness and x-ray wavelengths relevant to atomic and molecular phenomena) with the advantages of visible-light lasers (highly coherent beams). All of these characteristics are important for coherent x-ray diffraction imaging-lensless imaging

  6. Cryotomography x-ray microscopy state

    DOE Patents [OSTI]

    Le Gros, Mark; Larabell, Carolyn A.

    2010-10-26

    An x-ray microscope stage enables alignment of a sample about a rotation axis to enable three dimensional tomographic imaging of the sample using an x-ray microscope. A heat exchanger assembly provides cooled gas to a sample during x-ray microscopic imaging.

  7. X-RAY EMISSION FROM MAGNETIC MASSIVE STARS

    SciTech Connect (OSTI)

    Naz, Yal; Petit, Vronique; Rinbrand, Melanie; Owocki, Stan; Cohen, David; Ud-Doula, Asif; Wade, Gregg A.

    2014-11-01

    Magnetically confined winds of early-type stars are expected to be sources of bright and hard X-rays. To clarify the systematics of the observed X-ray properties, we have analyzed a large series of Chandra and XMM-Newton observations, corresponding to all available exposures of known massive magnetic stars (over 100 exposures covering ?60% of stars compiled in the catalog of Petit et al.). We show that the X-ray luminosity is strongly correlated with the stellar wind mass-loss rate, with a power-law form that is slightly steeper than linear for the majority of the less luminous, lower- M-dot B stars and flattens for the more luminous, higher- M-dot O stars. As the winds are radiatively driven, these scalings can be equivalently written as relations with the bolometric luminosity. The observed X-ray luminosities, and their trend with mass-loss rates, are well reproduced by new MHD models, although a few overluminous stars (mostly rapidly rotating objects) exist. No relation is found between other X-ray properties (plasma temperature, absorption) and stellar or magnetic parameters, contrary to expectations (e.g., higher temperature for stronger mass-loss rate). This suggests that the main driver for the plasma properties is different from the main determinant of the X-ray luminosity. Finally, variations of the X-ray hardnesses and luminosities, in phase with the stellar rotation period, are detected for some objects and they suggest that some temperature stratification exists in massive stars' magnetospheres.

  8. X-ray transmissive debris shield

    DOE Patents [OSTI]

    Spielman, Rick B.

    1996-01-01

    An X-ray debris shield for use in X-ray lithography that is comprised of an X-ray window having a layer of low density foam exhibits increased longevity without a substantial increase in exposure time. The low density foam layer serves to absorb the debris emitted from the X-ray source and attenuate the shock to the window so as to reduce the chance of breakage. Because the foam is low density, the X-rays are hardly attenuated by the foam and thus the exposure time is not substantially increased.

  9. X-ray transmissive debris shield

    DOE Patents [OSTI]

    Spielman, R.B.

    1996-05-21

    An X-ray debris shield for use in X-ray lithography that is comprised of an X-ray window having a layer of low density foam exhibits increased longevity without a substantial increase in exposure time. The low density foam layer serves to absorb the debris emitted from the X-ray source and attenuate the shock to the window so as to reduce the chance of breakage. Because the foam is low density, the X-rays are hardly attenuated by the foam and thus the exposure time is not substantially increased.

  10. X-Ray Microscopy | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    X-Ray Microscopy X-Ray Microscopy This group exploits the unique capabilities of hard X-ray microscopy to visualize and understand the structure and behavior of hybrid, energy-related, and tailored nanomaterials The Hard X-Ray Nanoprobe, located at Sector 26 of the Advanced Photon Source (APS) and operated by our group and APS, is the only dedicated X-ray microscopy beamline within the portfolios of the nation's Nanoscale Science Research Centers. Our scientific program seeks to understand

  11. Hard disk drive based microsecond x-ray chopper for characterization of ionization chambers and photodiodes

    SciTech Connect (OSTI)

    Müller, O. Lützenkirchen-Hecht, D.; Frahm, R.

    2015-03-15

    A fast X-ray chopper capable of producing ms long X-ray pulses with a typical rise time of few μs was realized. It is ideally suited to investigate the temporal response of X-ray detectors with response times of the order of μs to ms, in particular, any kind of ionization chambers and large area photo diodes. The drive mechanism consists of a brushless DC motor and driver electronics from a common hard disk drive, keeping the cost at an absolute minimum. Due to its simple construction and small dimensions, this chopper operates at home lab based X-ray tubes and synchrotron radiation sources as well. The dynamics of the most important detectors used in time resolved X-ray absorption spectroscopy, namely, ionization chambers and Passivated Implanted Planar Silicon photodiodes, were investigated in detail. The results emphasize the applicability of this X-ray chopper.

  12. X-ray lithography using holographic images

    DOE Patents [OSTI]

    Howells, Malcolm R.; Jacobsen, Chris

    1995-01-01

    A non-contact X-ray projection lithography method for producing a desired X-ray image on a selected surface of an X-ray-sensitive material, such as photoresist material on a wafer, the desired X-ray image having image minimum linewidths as small as 0.063 .mu.m, or even smaller. A hologram and its position are determined that will produce the desired image on the selected surface when the hologram is irradiated with X-rays from a suitably monochromatic X-ray source of a selected wavelength .lambda.. On-axis X-ray transmission through, or off-axis X-ray reflection from, a hologram may be used here, with very different requirements for monochromaticity, flux and brightness of the X-ray source. For reasonable penetration of photoresist materials by X-rays produced by the X-ray source, the wavelength X, is preferably chosen to be no more than 13.5 nm in one embodiment and more preferably is chosen in the range 1-5 nm in the other embodiment. A lower limit on linewidth is set by the linewidth of available microstructure writing devices, such as an electron beam.

  13. Multilayer graphene stacks grown by different methods-thickness measurements by X-ray diffraction, Raman spectroscopy and optical transmission

    SciTech Connect (OSTI)

    Tokarczyk, M. Kowalski, G.; Kępa, H.; Grodecki, K.; Drabińska, A.; Strupiński, W.

    2013-12-15

    X-ray diffraction, Raman spectroscopy and Optical absorption estimates of the thickness of graphene multi layer stacks (number of graphene layers) are presented for three different growth techniques. The objective of this work was focused on comparison and reconciliation of the two already widely used methods for thickness estimates (Raman and Absorption) with the calibration of the X-ray method as far as Scherer constant K is concerned and X-ray based Wagner-Aqua extrapolation method.

  14. SSRL School 2008 on Hard X-ray Scattering Techniques in MES

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    May 20-22, 2008 SSRL School on Synchrotron X-ray Absorption Spectroscopy Techniques in Environmental and Materials Sciences: Theory and Application Group photo from the 2008 SSRL...

  15. Automated Chemical Analysis of Internally Mixed Aerosol Particles Using X-ray Spectromicroscopy at the Carbon K-Edge

    SciTech Connect (OSTI)

    Moffet, Ryan C.; Henn, Tobias R.; Laskin, Alexander; Gilles, Marry K.

    2010-10-01

    We have developed an automated data analysis method for atmospheric particles using scanning transmission X-ray microscopy coupled with near edge X-ray fine structure spectroscopy (STXM/NEXAFS). This method is applied to complex internally mixed submicron particles containing organic and inorganic material. Several algorithms were developed to exploit NEXAFS spectral features in the energy range from 278-320 eV for quantitative mapping of the spatial distribution of elemental carbon, organic carbon, potassium, and non-carbonaceous elements in particles of mixed composition. This energy range encompasses the carbon K-edge and potassium L2 and L3 edges. STXM/NEXAFS maps of different chemical components were complemented with a subsequent analysis using elemental maps obtained by scanning electron microscopy coupled with energy dispersive X-ray analysis (SEM/EDX). We demonstrate application of the automated mapping algorithms for data analysis and the statistical classification of particles.

  16. X-ray transmissive debris shield

    DOE Patents [OSTI]

    Spielman, Rick B.

    1994-01-01

    A composite window structure is described for transmitting x-ray radiation and for shielding radiation generated debris. In particular, separate layers of different x-ray transmissive materials are laminated together to form a high strength, x-ray transmissive debris shield which is particularly suited for use in high energy fluences. In one embodiment, the composite window comprises alternating layers of beryllium and a thermoset polymer.

  17. High speed x-ray beam chopper

    DOE Patents [OSTI]

    McPherson, Armon; Mills, Dennis M.

    2002-01-01

    A fast, economical, and compact x-ray beam chopper with a small mass and a small moment of inertia whose rotation can be synchronized and phase locked to an electronic signal from an x-ray source and be monitored by a light beam is disclosed. X-ray bursts shorter than 2.5 microseconds have been produced with a jitter time of less than 3 ns.

  18. X-ray laser microscope apparatus

    DOE Patents [OSTI]

    Suckewer, Szymon; DiCicco, Darrell S.; Hirschberg, Joseph G.; Meixler, Lewis D.; Sathre, Robert; Skinner, Charles H.

    1990-01-01

    A microscope consisting of an x-ray contact microscope and an optical microscope. The optical, phase contrast, microscope is used to align a target with respect to a source of soft x-rays. The source of soft x-rays preferably comprises an x-ray laser but could comprise a synchrotron or other pulse source of x-rays. Transparent resist material is used to support the target. The optical microscope is located on the opposite side of the transparent resist material from the target and is employed to align the target with respect to the anticipated soft x-ray laser beam. After alignment with the use of the optical microscope, the target is exposed to the soft x-ray laser beam. The x-ray sensitive transparent resist material whose chemical bonds are altered by the x-ray beam passing through the target mater GOVERNMENT LICENSE RIGHTS This invention was made with government support under Contract No. De-FG02-86ER13609 awarded by the Department of Energy. The Government has certain rights in this invention.

  19. Lensless X-Ray Imaging in Reflection

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    of sychrotron light sources (high brightness and x-ray wavelengths relevant to atomic and molecular phenomena) with the advantages of visible-light lasers (highly coherent beams). ...

  20. Compound refractive X-ray lens

    DOE Patents [OSTI]

    Nygren, David R.; Cahn, Robert; Cederstrom, Bjorn; Danielsson, Mats; Vestlund, Jonas

    2000-01-01

    An apparatus and method for focusing X-rays. In one embodiment, his invention is a commercial-grade compound refractive X-ray lens. The commercial-grade compound refractive X-ray lens includes a volume of low-Z material. The volume of low-Z material has a first surface which is adapted to receive X-rays of commercially-applicable power emitted from a commercial-grade X-ray source. The volume of low-Z material also has a second surface from which emerge the X-rays of commercially-applicable power which were received at the first surface. Additionally, the commercial-grade compound refractive X-ray lens includes a plurality of openings which are disposed between the first surface and the second surface. The plurality of openings are oriented such that the X-rays of commercially-applicable power which are received at the first surface, pass through the volume of low-Z material and through the plurality openings. In so doing, the X-rays which emerge from the second surface are refracted to a focal point.

  1. Gamma and X-ray Dosimetric Method

    DOE Patents [OSTI]

    Taplin, G.V.; Douglas, C.H.

    1954-06-29

    This patent application concerns a highly stable two-phase liquid system for use in a colorimetric dosimeter for measuring X-ray and gamma radiation.

  2. Gamma Radiation & X-Rays

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Gamma Radiation and X-Rays 1. Gamma radiation and X-rays are electromagnetic radiation like visible light, radio waves, and ultraviolet light. These electromagnetic radiations differ only in the amount of energy they have. Gamma rays and X-rays are the most energetic of these. 2. Gamma radiation is able to travel many meters in air and many centimeters in human tissue. It readily penetrates most materials and is sometimes called "penetrating radiation." 3. X-rays are like gamma rays.

  3. Lensless X-Ray Imaging in Reflection

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Lensless X-Ray Imaging in Reflection Lensless X-Ray Imaging in Reflection Print Wednesday, 26 October 2011 00:00 The advent of x-ray free-electron laser (XFEL) light sources has led to an outburst of research activities in the field of lensless imaging. XFELs combine the advantages of sychrotron light sources (high brightness and x-ray wavelengths relevant to atomic and molecular phenomena) with the advantages of visible-light lasers (highly coherent beams). All of these characteristics are

  4. X-ray microscopy. Beyond ensemble averages

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ice, Gene E.; Budai, John D.

    2015-06-23

    This work exemplifies emerging tools to characterize local materials structure and dynamics, made possible by powerful X-ray synchrotron and transmission electron microscopy methods.

  5. Lensless X-Ray Imaging in Reflection

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    XFELs combine the advantages of sychrotron light sources (high brightness and x-ray wavelengths relevant to atomic and molecular phenomena) with the advantages of visible-light ...

  6. SMB, X-Ray Spectroscopy & Imaging

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Home » X-Ray Spectroscopy & Imaging X-Ray Spectroscopy & Imaging SSRL has five hard X-ray Spectroscopy beamlines and three Microfocus Imaging beamlines dedicated to Biological and Biomedical research funded by the NIH and DOE-BER. The SMB group supports and develops technical instrumentation and theoretical methods for state-of-the-art tender and hard X-ray spectroscopy and EXAFS studies on metalloproteins, cofactors and metals in medicine. The SMB group has also contributed to the

  7. Lensless X-Ray Imaging in Reflection

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    X-Ray Imaging in Reflection Print The advent of x-ray free-electron laser (XFEL) light sources has led to an outburst of research activities in the field of lensless imaging. XFELs combine the advantages of sychrotron light sources (high brightness and x-ray wavelengths relevant to atomic and molecular phenomena) with the advantages of visible-light lasers (highly coherent beams). All of these characteristics are important for coherent x-ray diffraction imaging-lensless imaging techniques that

  8. Lensless X-Ray Imaging in Reflection

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    X-Ray Imaging in Reflection Print The advent of x-ray free-electron laser (XFEL) light sources has led to an outburst of research activities in the field of lensless imaging. XFELs combine the advantages of sychrotron light sources (high brightness and x-ray wavelengths relevant to atomic and molecular phenomena) with the advantages of visible-light lasers (highly coherent beams). All of these characteristics are important for coherent x-ray diffraction imaging-lensless imaging techniques that

  9. Iron is the Key to Preserving Dinosaur Soft Tissue

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Researchers used transmission electron microscopy, electron energy loss spectroscopy, micro x-ray diffraction, and Fe micro x-ray absorption near-edge structure capabilities at...

  10. Full multiple scattering analysis of XANES at the Cd L3 and O K edges in CdO films combined with a soft-x-ray emission investigation

    SciTech Connect (OSTI)

    Demchenko, I. N.; Denlinger, J. D.; Chernyshova, M.; Yu, K. M.; Speaks, D. T.; Olalde-Velasco, P.; Hemmers, O.; Walukiewicz, W.; Derkachova, A.; Lawniczak-Jablonska, K.

    2010-07-05

    X-ray absorption near edge structure (XANES) at the cadmium L3 and oxygen K edges for CdO thin films grown by pulsed laser deposition method, is interpreted within the real-space multiple scattering formalism, FEFF code. The features in the experimental spectra are well reproduced by calculations for a cluster of about six and ten coordination shells around the absorber for L3 edge of Cd and K edge of O, respectively. The calculated projected electronic density of states is found to be in good agreement with unoccupied electronic states in experimental data and allows to conclude that the orbital character of the lowest energy of the conductive band is Cd-5s-O-2p. The charge transfer has been quantified and not purely ionic bonding has been found. Combined XANES and resonant inelastic x-ray scattering measurements allow us to determine the direct and indirect band gap of investigated CdO films to be {approx}2.4-eV and {approx}0.9-eV, respectively.

  11. Phased Contrast X-Ray Imaging

    ScienceCinema (OSTI)

    Erin Miller

    2012-12-31

    The Pacific Northwest National Laboratory is developing a range of technologies to broaden the field of explosives detection. Phased contrast X-ray imaging, which uses silicon gratings to detect distortions in the X-ray wave front, may be applicable to mail or luggage scanning for explosives; it can also be used in detecting other contraband, small-parts inspection, or materials characterization.

  12. Accelerator-driven X-ray Sources

    SciTech Connect (OSTI)

    Nguyen, Dinh Cong

    2015-11-09

    After an introduction which mentions x-ray tubes and storage rings and gives a brief review of special relativity, the subject is treated under the following topics and subtopics: synchrotron radiation (bending magnet radiation, wiggler radiation, undulator radiation, brightness and brilliance definition, synchrotron radiation facilities), x-ray free-electron lasers (linac-driven X-ray FEL, FEL interactions, self-amplified spontaneous emission (SASE), SASE self-seeding, fourth-generation light source facilities), and other X-ray sources (energy recovery linacs, Inverse Compton scattering, laser wakefield accelerator driven X-ray sources. In summary, accelerator-based light sources cover the entire electromagnetic spectrum. Synchrotron radiation (bending magnet, wiggler and undulator radiation) has unique properties that can be tailored to the users’ needs: bending magnet and wiggler radiation is broadband, undulator radiation has narrow spectral lines. X-ray FELs are the brightest coherent X-ray sources with high photon flux, femtosecond pulses, full transverse coherence, partial temporal coherence (SASE), and narrow spectral lines with seeding techniques. New developments in electron accelerators and radiation production can potentially lead to more compact sources of coherent X-rays.

  13. X-RAYS FROM THE POWER SOURCES OF THE CEPHEUS A STAR-FORMING REGION

    SciTech Connect (OSTI)

    Pravdo, Steven H.; Tsuboi, Yohko; Uzawa, Akiko; Ezoe, Yuichiro E-mail: tsuboi@phys.chuo-u.ac.j E-mail: ezoe@phys.metro-u.ac.j

    2009-10-20

    We report an observation of X-ray emission from the exciting region of Cepheus A with the Chandra/ACIS instrument. What had been an unresolved X-ray source comprising the putative power sources is now resolved into at least three point-like sources, each with similar X-ray properties and differing radio and submillimeter properties. The sources are HW9, HW3c, and a new source that is undetected at other wavelengths 'h10'. They each have inferred X-ray luminosities >= 10{sup 31} erg s{sup -1} with hard spectra, T >= 10{sup 7} K, and high low-energy absorption equivalent to tens to as much as a hundred magnitudes of visual absorption. The star usually assumed to be the most massive and energetic, HW2, is not detected with an upper limit about seven times lower than the detections. The X-rays may arise via thermal bremsstrahlung in diffuse emission regions associated with a gyrosynchrotron source for the radio emission, or they could arise from powerful stellar winds. We also analyzed the Spitzer/IRAC mid-IR observation from this star formation region and present the X-ray results and mid-IR classifications of the nearby stars. HH 168 is not as underluminous in X-rays as previously reported.

  14. Probing convex polygons with X-rays

    SciTech Connect (OSTI)

    Edelsbrunner, H.; Skiena, S.S. )

    1988-10-01

    An X-ray probe through a polygon measures the length of intersection between a line and the polygon. This paper considers the properties of various classes of X-ray probes, and shows how they interact to give finite strategies for completely describing convex n-gons. It is shown that (3n/2)+6 probes are sufficient to verify a specified n-gon, while for determining convex polygons (3n-1)/2 X-ray probes are necessary and 5n+O(1) sufficient, with 3n+O(1) sufficient given that a lower bound on the size of the smallest edge of P is known.

  15. Sandia National Laboratories: X-ray vision

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    The Sandia-developed X-Ray Toolkit, or XTK, is a specialized X-ray visualization tool to help bomb disposal squads make fast, accurate, and precise assessments of potentially dangerous devices such as pipe bombs and IEDs. The image here, captured via the XTK software package using its unique image-stitching capability, shows the inner workings of a mock IED. Facebook Twitter YouTube Flickr RSS News X-ray vision By Nancy Salem Photography By Randy Montoya Thursday, September 01, 2016 Sandia, UNM

  16. Ultrafast conversions between hydrogen bonded structures in liquid water observed by femtosecond x-ray spectroscopy

    SciTech Connect (OSTI)

    Wen, Haidan; Huse, Nils; Schoenlein, Robert W.; Lindenberg, Aaron M.

    2010-05-01

    We present the first femtosecond soft x-ray spectroscopy in liquids, enabling the observation of changes in hydrogen bond structures in water via core-hole excitation. The oxygen K-edge of vibrationally excited water is probed with femtosecond soft x-ray pulses, exploiting the relation between different water structures and distinct x-ray spectral features. After excitation of the intramolecular OH stretching vibration, characteristic x-ray absorption changes monitor the conversion of strongly hydrogen-bonded water structures to more disordered structures with weaker hydrogen-bonding described by a single subpicosecond time constant. The latter describes the thermalization time of vibrational excitations and defines the characteristic maximum rate with which nonequilibrium populations of more strongly hydrogen-bonded water structures convert to less-bonded ones. On short time scales, the relaxation of vibrational excitations leads to a transient high-pressure state and a transient absorption spectrum different from that of statically heated water.

  17. X-ray diffraction and EXAFS analysis of materials for lithium-based rechargeable batteries

    SciTech Connect (OSTI)

    Sharkov, M. D., E-mail: mischar@mail.ioffe.ru; Boiko, M. E.; Bobyl, A. V.; Ershenko, E. M.; Terukov, E. I. [Russian Academy of Sciences, Ioffe Physical-Technical Institute (Russian Federation); Zubavichus, Y. V. [National Research Centre Kurchatov Institute (Russian Federation)

    2013-12-15

    Lithium iron phosphate LiFePO{sub 4} (triphylite) and lithium titanate Li{sub 4}Ti{sub 5}O{sub 12} are used as components of a number of active materials in modern rechargeable batteries. Samples of these materials are studied by X-ray diffraction and extended X-ray absorption fine structure (EXAFS) spectroscopy. Hypotheses about the phase composition of the analyzed samples are formulated.

  18. X-ray absorption studies of mixed salt polymer electrolytes: ZnBr{sub 2}/CaBr{sub 2}-PEO, ZnBr{sub 2}/LiBr-PEO, and ZnBr{sub 2}/RbBr-PEO complexes

    SciTech Connect (OSTI)

    McBreen, J.; Yang, X.Q.; Lee, H.S.; Okamoto, Y.

    1995-02-01

    Polyethylene oxide (PEO)-salt systems are an important new class of electrolytes that are being considered for many uses. X-ray absorption (XAS) studies of ZnBr{sub 2}-PEO complexes, at the Zn K edge, at temperatures between 25 and 120 C, indicate that additions of bromide salts of Li, Rb, or Ca result in the formation of ZnBr{sub 4}{sup {minus} 2} complexes with a Zn-Br bond length of 2.42 {angstrom}. XAS, at the Rb K edge, in mixed RbBr/ZnBr{sub 2}-PEO complexes with an excess of ZnBr{sub 2}, shows that the ZnBr{sub 2} causes the RbBr to dissolve in the polymer. The Rb{sup +} ions are weakly complexed with the PEO with an Rb-O bond distance of 2.93 {angstrom}.

  19. Lensless X-Ray Imaging in Reflection

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Wednesday, 26 October 2011 00:00 The advent of x-ray free-electron laser (XFEL) light ... wavelengths relevant to atomic and molecular phenomena) with the advantages of ...

  20. X-ray grid-detector apparatus

    DOE Patents [OSTI]

    Boone, John M.; Lane, Stephen M.

    1998-01-27

    A hybrid grid-detector apparatus for x-ray systems wherein a microchannel plate structure has an air-interspaced grid portion and a phosphor/optical fluid-filled grid portion. The grids are defined by multiple adjacent channels separated by lead-glass septa. X-rays entering the air-interspaced grid portion at an angle of impingement upon the septa are attenuated, while non-impinging x-rays pass through to the phosphor/fluid filled portion. X-ray energy is converted to luminescent energy in the phosphor/fluid filled portion and the resultant beams of light are directed out of the phosphor/optical fluid filled portion to an imaging device.

  1. X-ray source for mammography

    DOE Patents [OSTI]

    Logan, C.M.

    1994-12-20

    An x-ray source is described utilizing anode material which shifts the output spectrum to higher energy and thereby obtains higher penetrating ability for screening mammography application, than the currently utilized anode material. The currently used anode material (molybdenum) produces an energy x-ray spectrum of 17.5/19.6 keV, which using the anode material of this invention (e.g. silver, rhodium, and tungsten) the x-ray spectrum would be in the 20-35 keV region. Thus, the anode material of this invention provides for imaging of breasts with higher than average x-ray opacity without increase of the radiation dose, and thus reduces the risk of induced breast cancer due to the radiation dose administered for mammograms. 6 figures.

  2. X-Ray Nanoimaging: Instruments and Methods

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    X-Ray Nanoimaging: Instruments and Methods To be held as part of SPIE. http:spie.orgOP318 August 28-29, 2013; San Diego, California, USA

  3. Small Angle X-Ray Scattering Detector

    DOE Patents [OSTI]

    Hessler, Jan P.

    2004-06-15

    A detector for time-resolved small-angle x-ray scattering includes a nearly constant diameter, evacuated linear tube having an end plate detector with a first fluorescent screen and concentric rings of first fiber optic bundles for low angle scattering detection and an annular detector having a second fluorescent screen and second fiber optic bundles concentrically disposed about the tube for higher angle scattering detection. With the scattering source, i.e., the specimen under investigation, located outside of the evacuated tube on the tube's longitudinal axis, scattered x-rays are detected by the fiber optic bundles, to each of which is coupled a respective photodetector, to provide a measurement resolution, i.e., dq/q, where q is the momentum transferred from an incident x-ray to an x-ray scattering specimen, of 2% over two (2) orders of magnitude in reciprocal space, i.e., qmax/qmin approx=lO0.

  4. X-rays Illuminate Ancient Archimedes Text

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... DailyIndia.com: http:www.dailyindia.comshow48286.phpX-rays-illuminate-Archimedes-writings North Korea Times: http:story.northkoreatimes.comp.xct9ciddd8845aa60952db2id...

  5. X-Ray Nanoimaging: Instruments and Methods

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    X-Ray Nanoimaging: Instruments and Methods To be held as part of SPIE. http://spie.org/OP318 August 28-29, 2013; San Diego, California, USA

  6. X-ray source for mammography

    DOE Patents [OSTI]

    Logan, Clinton M.

    1994-01-01

    An x-ray source utilizing anode material which shifts the output spectrum to higher energy and thereby obtains higher penetrating ability for screening mammography application, than the currently utilized anode material. The currently used anode material (molybdenum) produces an energy x-ray spectrum of 17.5/19.6 keV, which using the anode material of this invention (e.g. silver, rhodium, and tungsten) the x-ray spectrum would be in the 20-35 keV region. Thus, the anode material of this invention provides for imaging of breasts with higher than average x-ray opacity without increase of the radiation dose, and thus reduces the risk of induced breast cancer due to the radiation dose administered for mammograms.

  7. X-ray image intensifier phosphor

    DOE Patents [OSTI]

    D'Silva, A.P.; Fassel, V.A.

    1975-12-01

    Y/sub 1-x/Gd/sub x/.PO$sub 4$:Tb$sup 3+$ is an effective phosphor for use in X-ray intensifier screens and in nuclear radiation detection systems.

  8. Lensless X-Ray Imaging in Reflection

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    be reconstructed by a single Fourier transform; this is known as Fourier transform holography. The problem of getting sufficiently coherent x-rays onto and off of the sample in a...

  9. Femtosecond X-ray protein nanocrystallography

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    pulses from a hard-X-ray free-electron laser, the Linac Coherent Light Source (4). ... We mitigate the problem of radiation damage in crystallography by using pulses briefer ...

  10. Optimization efforts in gated x-ray intensifiers (Conference...

    Office of Scientific and Technical Information (OSTI)

    Optimization efforts in gated x-ray intensifiers Citation Details In-Document Search Title: Optimization efforts in gated x-ray intensifiers Gated x-ray intensifiers are often ...