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1

X-ray Absorption Spectroscopy  

SciTech Connect

This review gives a brief description of the theory and application of X-ray absorption spectroscopy, both X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS), especially, pertaining to photosynthesis. The advantages and limitations of the methods are discussed. Recent advances in extended EXAFS and polarized EXAFS using oriented membranes and single crystals are explained. Developments in theory in understanding the XANES spectra are described. The application of X-ray absorption spectroscopy to the study of the Mn4Ca cluster in Photosystem II is presented.

Yano, Junko; Yachandra, Vittal K.

2009-07-09T23:59:59.000Z

2

Simulated X-Ray Absorption Spectroscopy on the Water Dimer  

DOE Green Energy (OSTI)

The ability of an individual H{sub 2}O molecule to form multiple hydrogen bonds with neighboring molecules makes it an ideal substance for the study of hydrogen bonding. X-ray absorption spectroscopy (XAS) can be used to study what intermolecular structures the hydrogen-bonded water molecules form. XAS excites core electrons from the oxygen 1 s atomic orbital to an unoccupied orbital. The resulting absorption spectrum shows the energy levels of the unoccupied orbitals, which in turn is dependent on the intermolecular structure of the H{sub 2}O system. Previous studies using molecular dynamics computer simulations have concluded that the intermolecular structure of liquid water is a distorted tetrahedron. Yet x-ray absorption spectra show discrepancies between liquid water and ice Ih, which is already known to have a rigid tetrahedral structure. The research group, which is based in the University of Sweden in Stockholm and the Stanford Synchrotron Radiation Laboratory at the Stanford Linear Accelerator Center, has studied the possible presence of broken hydrogen bonds in the liquid water intermolecular structure to explain these deviations. Computer simulations are used to construct theoretical absorption spectra for models of liquid water including broken hydrogen bonds. Creating such models requires controlling variables. The simplest method of isolating individual variables, such as hydrogen bond length and angles, is to study the water dimer. Here, the water dimer is used to study how the absorption spectra change with the way the water molecules are positioned and oriented relative to each other.

Wung, A

2004-02-05T23:59:59.000Z

3

X-Ray Absorption Spectroscopy of Transition Metal-Magnesium Hydride Thin  

NLE Websites -- All DOE Office Websites (Extended Search)

X-Ray Absorption Spectroscopy of Transition Metal-Magnesium Hydride Thin X-Ray Absorption Spectroscopy of Transition Metal-Magnesium Hydride Thin Films Title X-Ray Absorption Spectroscopy of Transition Metal-Magnesium Hydride Thin Films Publication Type Journal Article LBNL Report Number LBNL-50574 Year of Publication 2002 Authors Richardson, Thomas J., Baker Farangis, Jonathan L. Slack, Ponnusamy Nachimuthu, Rupert C. C. Perera, Nobumichi Tamura, and Michael D. Rubin Journal Journal of Alloys and Compounds Volume 356-357 Start Page 204 Pagination 204-207 Date Published 08/2003 Keywords A. hydrogen storage materials, NEXAFS, thin film s; C. EXAFS, x-ray diffraction Abstract Mixed metal thin films containing magnesium and a first-row transition element exhibit very large changes in both reflectance and transmittance on exposure to hydrogen gas. Changes in electronic structure and coordination of the magnesium and transition metal atoms during hydrogen absorption were studied using dynamic in situ transmission mode X-ray absorption spectroscopy. Mg K-edge and Ni, Co, and Ti L-edge spectra reflect both reversible and irreversible changes in the metal environments. A significant shift in the nickel L absorption edge shows it to be an active participant in hydride formation. The effect on cobalt and titanium is much less dramatic, suggesting that these metals act primarily as catalysts for formation of magnesium hydride.

4

Ultra-soft x-ray absorption spectroscopy: A bulk and surface probe of materials  

SciTech Connect

Direct comparisons between surface and bulk of diverse materials can be made by simultaneous electron yield (5 nm depth sensitivity) and fluorescence yield (200 nm) ultra soft x-ray absorption spectroscopy measurements utilizing a rapid sample interchange apparatus. For example the orientations of functional groups have been characterized at and near the surface of a series of model polymeric materials highlighting the chemical and molecular sensitivity of ultra soft x-ray absorption spectroscopy. In addition we discuss a bulk sensitive use of fluorescence yield to non destructively study a buried metal polymer interface. A second bulk sensitive example is the use of fluorescence yield oxygen K near edge x-ray spectroscopy as a method to determine the hole state density of high Tc materials.

Fischer, D.A. [National Institute of Standards and Technology, Gaithersburg, MD (United States); Mitchell, G.E.; Dekoven, B.M. [Dow Chemical Co., Midland, MI (United States); Yeh, A.T.; Gland, J.L. [Michigan Univ., Ann Arbor, MI (United States); Moodenbaugh, A.R. [Brookhaven National Lab., Upton, NY (United States)

1993-06-01T23:59:59.000Z

5

Ultra-soft x-ray absorption spectroscopy: A bulk and surface probe of materials  

SciTech Connect

Direct comparisons between surface and bulk of diverse materials can be made by simultaneous electron yield (5 nm depth sensitivity) and fluorescence yield (200 nm) ultra soft x-ray absorption spectroscopy measurements utilizing a rapid sample interchange apparatus. For example the orientations of functional groups have been characterized at and near the surface of a series of model polymeric materials highlighting the chemical and molecular sensitivity of ultra soft x-ray absorption spectroscopy. In addition we discuss a bulk sensitive use of fluorescence yield to non destructively study a buried metal polymer interface. A second bulk sensitive example is the use of fluorescence yield oxygen K near edge x-ray spectroscopy as a method to determine the hole state density of high Tc materials.

Fischer, D.A. (National Institute of Standards and Technology, Gaithersburg, MD (United States)); Mitchell, G.E.; Dekoven, B.M. (Dow Chemical Co., Midland, MI (United States)); Yeh, A.T.; Gland, J.L. (Michigan Univ., Ann Arbor, MI (United States)); Moodenbaugh, A.R. (Brookhaven National Lab., Upton, NY (United States))

1993-01-01T23:59:59.000Z

6

An energy dispersive x-ray absorption spectroscopy beamline, X6A, at NSLS  

Science Conference Proceedings (OSTI)

An energy dispersive x-ray absorption spectroscopy instrument has been built at the X6A beam port of the x-ray ring at the National Synchrotron Light Source (NSLS). This instrument allows the collection of extended x-ray-absorption fine structure and/or x-ray absorption near-edge structure spectra for many elements on the millisecond time scale. The beamline employs a four-point crystal bender and a rectangular Si 220 crystal to access incident energies between 6.5 and 21 keV. Because the polychromator focuses the synchrotron beam to a narrow 100-[mu]m line, this experimental apparatus is ideal for x-ray absorption spectroscopy experiments in special environments such as at high pressures, for [ital in] [ital situ] experiments, and/or for very small samples. In this manuscript we will describe the instrument design and present data with which to evaluate the instrument. This beamline is available through the NSLS user proposal system.

Lee, P.L.; Beno, M.A.; Jennings, G.; Ramanathan, M.; Knapp, G.S.; Huang, K. (Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)); Bai, J. (Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States) Department of Physics, Brooklyn College of CUNY, Brooklyn, New York 11210 (United States)); Montano, P.A. (Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States) Department of Physics, University of Illinois, Chicago, Chicago, Illinois 60680 (United States))

1994-01-01T23:59:59.000Z

7

Microscale X-ray Absorption Spectroscopy on the GSECARS Sector 13 at the APS  

E-Print Network (OSTI)

GeoSoilEnviroCARS (GSECARS) is a national user facility for frontier research in the earth sciences using synchrotrons radiation at the Advanced Photon Source, Argonne National Laboratory. GSECARS provides earth scientists with access to the high-brilliance hard x-rays from this third-generation synchrotrons light source. The research conducted at this facility will advance our knowledge of the composition, structure and properties of earth materials, the processes they control and the processes that produce them. All principal synchrotron-based analytical techniques in demand by earth scientists are being brought to bear on earth science problems: (1) high-pressure/high-temperature crystallography and spectroscopy using the diamond anvil cell; (2) high-pressure/high-temperature crystallography using the large-volume press; (3) powder, single crystal and interface diffraction; (4) x-ray absorption fine structure (XAFS) spectroscopy; (5) x-ray fluorescence microprobe analysis and microspectroscopy; and (6) mic...

Stephen-Sutto

2000-01-01T23:59:59.000Z

8

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

DOE Green Energy (OSTI)

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.

Balasubramanian, M.

1998-06-02T23:59:59.000Z

9

X-RAY ABSORPTION SPECTROSCOPY OF TRANSITION METAL-MAGNESIUM HYDRIDE FILMS  

NLE Websites -- All DOE Office Websites (Extended Search)

Spectroscopy of Transition Metal-Magnesium Spectroscopy of Transition Metal-Magnesium Hydride Thin Films T. J. Richardson a, *, B. Farangis a , J. L. Slack a , P. Nachimuthu b , R. Pereira b , N. Tamura b , and M. Rubin a a Environmental Energy Technologies Division, b Advanced Light Source, Ernest Orlando Lawrence Berkeley National Laboratory Berkeley, California 94720, USA *Corresponding author, E-mail address: tjrichardson@lbl.gov Abstract Mixed metal thin films containing magnesium and a first-row transition element exhibit very large changes in both reflectance and transmittance on exposure to hydrogen gas. Changes in electronic structure and coordination of the magnesium and transition metal atoms during hydrogen absorption were studied using dynamic in situ transmission mode X-ray absorption

10

Isotope and Temperature Effects in Liquid Water Probed by X-RayAbsorption and Resonant X-Ray Emission Spectroscopy  

DOE Green Energy (OSTI)

High-resolution x-ray absorption and emission spectra ofliquid water exhibit a strong isotope effect. Further, the emissionspectra show a splitting of the 1b1 emission line, a weak temperatureeffect, and a pronounced excitation-energy dependence. They can bedescribed as a superposition of two independent contributions. Bycomparing with gasphase, ice, and NaOH/NaOD, we propose that the twocomponents are governed by the initial state hydrogen bondingconfiguration and ultrafast dissociation on the time scale of the O 1score hole decay.

Fuchs, O.; Zharnikov, M.; Weinhardt, L.; Blum, M.; Weigand, M.; Zubavichus, Y.; Bar, M.; Maier, F.; Denlinger, J.D.; Heske, C.; Grunze,M.; Umbach, E.

2007-03-10T23:59:59.000Z

11

A Fern Fatale - X-ray Absorption Spectroscopy Imaging an Arsenic-Loving  

NLE Websites -- All DOE Office Websites (Extended Search)

Fern Fatale - X-ray Absorption Spectroscopy Imaging of an Arsenic-Loving Fern Fatale - X-ray Absorption Spectroscopy Imaging of an Arsenic-Loving Fern For many people, arsenic is synonymous with poison, so it is perhaps a surprise that some plants, such as the fern Pteris vittata (Figure 1) seem to quite deliberately accumulate large amounts of it. What is more, the plant converts it to the most toxic inorganic form known. How does it do this? First some background; while there is some evidence that arsenic is required for health [1], this is debatable. On the other hand, the poisonous nature of arsenic compounds was understood by the ancient Greeks and Romans, and it has been used throughout history as a homicidal and suicidal agent. It is found in two environmentally common oxy acids; arsenous acid (H3AsO3), and arsenic acid (H3AsO4), whose salts are known as arsenites and arsenates, respectively. Of these, the trivalent arsenic species are the most toxic. The infamous agent of murder is arsenic trioxide (white arsenic or As2O3), which is simply the (reputedly tasteless) anhydride of arsenous acid.

12

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

SciTech Connect

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 better than 25 nm. Limiting factors for Stardust STXM analyses were self-imposed limits of photon dose due to radiation damage concerns, and significant attenuation of <1500 eV X-rays by {approx}80{micro}m thick, {approx}25 mg/cm{sup 3} density silica aerogel capture medium. In practice, the ISPE team characterized the major, light elements using STXM (O, Mg, Al, Si) and the heavier minor and trace elements using SXRF. The two data sets overlapped only with minor Fe and Ni ({approx}1% mass abundance), providing few quantitative cross-checks. New improved standards for cross calibration are essential for consortium-based analyses of Stardust interstellar and cometary particles, IDPs. Indeed, they have far reaching application across the whole synchrotron-based analytical community. We have synthesized three ALD multilayers simultaneously on silicon nitride membranes and silicon and characterized them using RBS (on Si), XRF (on Si{sub 3}N{sub 4}) and STXM/XAS (holey Si{sub 3}N{sub 4}). The systems we have started to work with are Al-Zn-Fe and Y-Mg-Er. We have found these ALD multi-layers to be uniform at {micro}m- to nm scales, and have found excellent consistency between four analytical techniques so far. The ALD films can also be used as a standard for e-beam instruments, eg., TEM EELS or EDX. After some early issues with the consistency of coatings to the back-side of the membrane windows, we are confident to be able to show multi-analytical agreement to within 10%. As the precision improves, we can use the new standards to verify or improve the tabulated cross-sections.

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

2012-03-13T23:59:59.000Z

13

X-ray Absorption Spectroscopy Beamline at the Siam Photon Laboratory  

SciTech Connect

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.

Klysubun, Wantana; Tarawarakarn, Pongjakr; Sombunchoo, Panidtha; Klinkhieo, Supat; Chaiprapa, Jitrin [National Synchrotron Research Center, 111 University Ave., Muang District, Nakhon Ratchasima 30000 (Thailand); Songsiriritthigul, Prayoon [National Synchrotron Research Center, 111 University Ave., Muang District, Nakhon Ratchasima 30000 (Thailand); School of Physics, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand)

2007-01-19T23:59:59.000Z

14

Understanding Sulfur Poisoning and Regeneration of Nickel Biomass Conditioning Catalysts using X-Ray Absorption Spectroscopy  

Science Conference Proceedings (OSTI)

The production of biofuels can proceed via a biomass gasification to produce syngas, which can then undergo catalytic conditioning and reforming reactions prior to being sent to a fuel synthesis reactor. Catalysts used for biomass conditioning are plagued by short lifetimes which are a result of, among other things, poisoning. Syngas produced from biomass gasification may contain between 30-300 ppm H2S, depending on the feedstock and gasification conditions, and H2S is a key catalyst poison. In order to overcome catalyst poisoning, either an H2S-tolerant catalyst or an efficient regeneration protocol should be employed. In this study, sulfur K-edge X-ray absorption near edge spectroscopy (XANES) was used to monitor sulfur species on spent catalyst samples and the transformation of these species from sulfides to sulfates during steam and air regeneration on a Ni/Mg/K/Al2O3 catalyst used to condition biomass-derived syngas. Additionally, nickel K-edge EXAFS and XANES are used to examine the state of nickel species on the catalysts. Post-reaction samples showed the presence of sulfides on the H2S-poisoned nickel catalyst and although some gaseous sulfur species were observed to leave the catalyst bed during regeneration, sulfur remained on the catalyst and a transformation from sulfides to sulfates was observed. The subsequent H2 reduction led to a partial reduction of sulfates back to sulfides. A proposed reaction sequence is presented and recommended regeneration strategies are discussed.

Yung, M. M.; Cheah, S.; Kuhn, J. N.

2013-01-01T23:59:59.000Z

15

Soft x-ray absorption and photoemission spectroscopy study of superoxide KO2 J.-S. Kang,* D. H. Kim, and J. H. Hwang  

E-Print Network (OSTI)

Soft x-ray absorption and photoemission spectroscopy study of superoxide KO2 J.-S. Kang,* D. H. Kim of superoxide KO2 was investigated by employing soft x-ray absorption spectros- copy XAS and core cooling, O2 - molecular bond axes seem to tilt to have a lower crystal monoclinic symme- try. By lowering

Min, Byung Il

16

Design and Operation of a High Pressure Reaction Cell for in situ X-ray Absorption Spectroscopy  

DOE Green Energy (OSTI)

X-ray absorption spectroscopy measurements of catalytic reactions have been instrumental in advancing the understanding of catalytic processes. These measurements require an in situ catalysis reaction cell with unique properties. Here we describe the design and initial operation of an in situ/operando catalysis reaction cell for transmission X-ray absorption spectroscopy measurements. The cell is designed: to be an ideal catalytic reactor with no mass transfer effects; to give the same conversion and selectivity under similar space velocities as standard laboratory micro-reactors; to be operational temperatures up to 600 {sup o}C and pressures up to 14 bar; to be X-ray transparent allowing XAS measurement to be collected in transmission for all elements with Z {>=} 23 (vanadium K-edge at 5.5 keV); to measure the actual catalyst bed temperature; to not use o-ring seals, or water cooling; to be robust, compact, easy to assemble, and use, and relatively low cost to produce. The heart of the cell is fabricated from an X-ray transparent beryllium tube that forms a plug flow reactor. XAFS data recorded during the reduction of a Re/{gamma}-A{sub 2}O{sub 3} catalyst as a function of hydrogen pressure from 0.05 to 8 bar, and from a Pt-Sn/{gamma}-A{sub 2}O{sub 3} catalyst during n-heptane reforming are given as initial examples of the versatility of the reactor.

Bare,S.; Yang, N.; Kelly, S.; Mickelson, G.; Modica, F.

2007-01-01T23:59:59.000Z

17

Local structure of indium oxynitride from x-ray absorption spectroscopy  

SciTech Connect

Synchrotron x-ray absorption near edge structures (XANES) measurements of In L{sub 3} edge is used in conjunction with first principles calculations to characterize rf magnetron sputtered indium oxynitride at different O contents. Good agreement between the measured and the independently calculated spectra are obtained. Calculations show that the XANES spectra of this alloy are sensitive to the coordination numbers of the In atoms, i.e., fourfold for indium nitride-like structures and sixfold for indium oxide-like structures, but not to the substitution of nearest neighbor N by O or vice versa.

T-Thienprasert, J.; Onkaw, D.; Rujirawat, S.; Limpijumnong, S. [School of Physics, Suranaree University of Technology and National Synchrotron Research Center, Nakhon Ratchasima 30000 (Thailand); Nukeaw, J.; Sungthong, A. [Nanotechnology Research Center of KMITL and Department of Applied Physics, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Porntheeraphat, S. [Thai Microelectronics Center, National Electronics and Computer Technology Center, Pathumthani 12120 (Thailand); Singkarat, S. [Fast Neutron Research Facility, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

2008-08-04T23:59:59.000Z

18

Design of a continuous-flow reactor for in situ x-ray absorption spectroscopy of solids in supercritical fluids  

Science Conference Proceedings (OSTI)

This paper presents the design and performance of a novel high-temperature and high-pressure continuous-flow reactor, which allows for x-ray absorption spectroscopy or diffraction in supercritical water and other fluids under high pressure and temperature. The in situ cell consists of a tube of sintered, polycrystalline aluminum nitride, which is tolerant to corrosive chemical media, and was designed to be stable at temperatures up to 500 deg. C and pressures up to 30 MPa. The performance of the reactor is demonstrated by the measurement of extended x-ray absorption fine structure spectra of a carbon-supported ruthenium catalyst during the continuous hydrothermal gasification of ethanol in supercritical water at 400 deg. C and 24 MPa.

Dreher, M.; De Boni, E.; Nachtegaal, M.; Wambach, J.; Vogel, F. [Paul Scherrer Institut, 5232 Villigen PSI (Switzerland)

2012-05-15T23:59:59.000Z

19

REACTION KINETICS AND X-RAY ABSORPTION SPECTROSCOPY STUDIES OF YTTRIUM CONTAINING METAL HYDRIDE ELECTRODES  

DOE Green Energy (OSTI)

This was a study of electrode degradation mechanisms and the reaction kinetics of LaNi{sub 4.7}Sn{sub 0.3}, La{sub (1{minus}x)}, (x = 0.1, 0.2, and 0.3) and La{sub 0.7}Y{sub 0.3}Ni{sub 4.6}Sn{sub 0.3}Co{sub 0.1} metal hydride electrodes. Alloy characterization included x-ray diffraction (XRD), x-ray absorption (XAS), hydrogen absorption in a Sieverts apparatus, and electrochemical cycling of alloy electrodes. The atomic volume of H was determined for two of the alloys. Electrochemical kinetic measurements were made using steady state galvanostatic measurements, galvanodynamic sweep, and electrochemical impedance techniques. XAS was used to examine the degree of corrosion of the alloys with cycling. Alloying with Y decreased the corrosion rate. The results are consistent with corrosion inhibition by a Y containing passive film. The increase in the kinetics of the hydrogen oxidation reaction (HOR) with increasing depth of discharge was much greater on the Y containing alloys. This may be due to the dehydriding of the catalytic species on the surface of the metal hydride particles.

TICIANELLI,E.A.; MUKERJEE,S.; MCBREEN,J.; ADZIC,G.D.; JOHNSON,J.R.; REILLY,J.J.

1998-11-01T23:59:59.000Z

20

Studies of Cu(II) in soil by X-ray absorption spectroscopy A. I. Frenkel1 and G. V. Korshin2  

E-Print Network (OSTI)

Studies of Cu(II) in soil by X-ray absorption spectroscopy A. I. Frenkel1 and G. V. Korshin2 1. Frenkel, A. I. and Korshin, G. V. 2001. Studies of Cu(II) in soil by X-ray absorption spectroscopy. Can. J. Soil Sci. 81: 271­276. Based on original data for copper, this paper evaluates the use and advantages

Frenkel, Anatoly

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

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

DOE Green Energy (OSTI)

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.

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

2009-05-29T23:59:59.000Z

22

X-RAY ABSORPTION SPECTROSCOPY FOR THE CHEMICAL CHARACTERIZATION OF ATMOSPHERIC AEROSOLS  

E-Print Network (OSTI)

CHARACTERIZATION OF ATMOSPHERIC AEROSOLS J. M. Jaklevic andOF ATMOSPHERIC AEROSOLS X~RAY J. M. Jaklevic and A. C.from the atmospheric aerosol. Modern air sampling technology

Jaklevic, J. M.

2011-01-01T23:59:59.000Z

23

Influence of the cobalt particle size in the CO hydrogenation reaction studied by in situ X-ray absorption spectroscopy  

E-Print Network (OSTI)

Cobalt, nanoparticles, Fischer-Tropsch, X-ray absorption (oxides [5] and Fischer-Tropsch (FT) synthesis [6,7]. Itswhich is inactive for Fischer-Tropsch synthesis. This oxide

Herranz, Tirma

2010-01-01T23:59:59.000Z

24

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

Science Conference Proceedings (OSTI)

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 differences between the thiol and disulfide forms. Sulfur XANES is also used to detect changes (within 5%) of the thiol-to-disulfide ratio in whole human blood, plasma, and erythrocytes.

Cinco, Roehl M.

1999-12-16T23:59:59.000Z

25

Spectroscopic differentiation between O-atom vacancy and divacancy defects, respectively, in TiO2 and HfO2 by X-ray absorption spectroscopy  

Science Conference Proceedings (OSTI)

Defect state features have been detected in second derivative O K edge spectra for thin films of nano-crystalline TiO"2 and HfO"2. Based on soft X-ray photoelectron band edge spectra, and the occurrence of occupied band edge 4f states in Gd(Sc,Ti)O"3, ... Keywords: Bound resonance states, Divacancies, Immobile and mobile vacancies, Monovacancies, Pre-edge regime, X-ray absorption spectroscopy

G. Lucovsky; K. -B. Chung; J. -W. Kim; D. Norlund

2009-07-01T23:59:59.000Z

26

Assessment of Aided Phytostabilization of Copper-Contaminated Soil by X-ray Absorption Spectroscopy and Chemical Extractions  

SciTech Connect

Field plots were established at a timber treatment site to evaluate remediation of Cu contaminated topsoils with aided phytostabilization. Soil containing 2600 mg kg{sup -1} Cu was amended with a combination of 5 wt% compost and 2 wt% iron grit, and vegetated. Sequential extraction was combined with extended X-ray absorption fine structure (EXAFS) spectroscopy to correlate changes in Cu distribution across five fractions with changes in the predominant Cu compounds two years after treatment in parallel treated and untreated field plots. Exchangeable Cu dominated untreated soil, most likely as Cu(II) species non-specifically bound to natural organic matter. The EXAFS spectroscopic results are consistent with the sequential extraction results, which show a major shift in Cu distribution as a result of soil treatment to the fraction bound to poorly crystalline Fe oxyhydroxides forming binuclear inner-sphere complexes.

J Kumpiene; M Mench; C Bes; J Fitts

2011-12-31T23:59:59.000Z

27

TENDER ENERGY X-RAY ABSORPTION  

NLE Websites -- All DOE Office Websites (Extended Search)

TENDER ENERGY X-RAY ABSORPTION TENDER ENERGY X-RAY ABSORPTION SPECTROSCOPY (TES) Project Team: S. Bare 1,2 , J. Brandes 3 , T. Buonassisi 4 , J. Chen 5,2 , M. Croft 6 , E. DiMasi 7 , A. Frenkel 8,2 , D. Hesterberg 9 , S. Hulbert 7,2 , S. Khalid 7 , S. Myneni 10 , P. Northrup 7,11 , E.T. Rasbury 11 , B. Ravel 12 , R. Reeder 11 , J. Rodriguez 7,2 , D. Sparks 5,13 , V. Stojanoff 7 , G. Waychunas 14 1 UOP LLC, 2 Synchrotron Catalysis Consortium, 3 Skidaway Inst. of Oceanography, 4 MIT Laboratory for Photovoltaics Research, 5 Univ. of Delaware, 6 Rutgers Univ., 7 Brookhaven National Lab, 8 Yeshiva Univ., 9 North Carolina State Univ., 10 Princeton Univ., 11 Stony Brook Univ., 12 NIST, 13 Delaware Environmental Inst., 14 Lawrence Berkeley National Lab TECHNIQUES: High performance and in-situ X-ray absorption spectroscopy and spatially-resolved XAS of

28

Understanding Electrocatalytic Pathways in Low and Medium Temperature Fuel Cells: Synchrotron-based In Situ X-Ray Absorption Spectroscopy  

DOE Green Energy (OSTI)

Over the last few decades, researchers have made significant developments in producing more advanced electrocatalytic materials for power generation applications. For example, traditional fuel cell catalysts often involve high-priced precious metals such as Pt. However, in order for fuel cells to become commercially viable, there is a need to reduce or completely remove precious metal altogether. As a result, a myriad of novel, unconventional materials have been explored such as chalcogenides, porphyrins, and organic-metal-macrocycles for low/medium temperature fuel cells as well as enzymatic and microbial fuel cells. As these materials increasingly become more complex, researchers often find themselves in search of new characterization methods, especially those which are allow in situ and operando measurements with element specificity. One such method that has received much attention for analysis of electrocatalytic materials is X-ray absorption spectroscopy (XAS). XAS is an element specific, core level absorption technique which yields structural and electronic information. As a core electron method, XAS requires an extremely bright source, hence a synchrotron. The resulting intensity of synchrotron radiation allow for experiments to be conducted in situ, under electrochemically relevant conditions. Although a bulk-averaging technique requiring rigorous mathematical manipulation, XAS has the added benefit that it can probe materials which possess no long range order. This makes it ideal to characterize nano-scale electrocatalysts. XAS experiments are conducted by ramping the X-ray photon energy while measuring absorption of the incident beam the sample or by counting fluorescent photons released from a sample due to subsequent relaxation. Absorption mode XAS follows the Beer-Lambert Law, {mu}x = log(I{sub 0}/I{sub t}) (1) where {mu} is the absorption coefficient, x is the sample thickness and I{sub 0} and I{sub t} are the intensities of the incident and transmission beams respectively. When the energy of the incident X-rays exceed the electron binding energy (E{sub 0}) of the element under investigation, the electron is ejected from the core to available excited states in the form of a photoelectron with kinetic energy: E{sub k} = h? - E{sub 0} (2) with, E{sub k} being the kinetic energy of the released photoelectron and h? the energy of the incident beam. In general, the X-ray absorption spectrum is broken down into two distinct energy regions: the X-ray absorption near-edge structure or XANES (-50eV {le} E{sub 0} {le} 50eV) and the extended X-ray absorption fine-structure or EXAFS (50eV {le} E{sub 0} {le} {approx}1000eV). The XANES region is dominated by low-energy photoelectrons which undergo multiple scattering events. As such, it can reveal information about oxidation state, local symmetry, electronic structure, and the extent of oxidation of a material. Due to this complex multiple scattering, there is no simple XANES equation to describe it quantitatively. However, recent advancements in computers and the evolution of numerical methods such as the FEFF code have made possible reliable XANES simulations. Photoelectrons in the EXAFS region have high enough E{sub k} to undergo primarily single back-scattering events. These back-scattered photoelectrons interfere with the outgoing photoelectrons, causing the oscillations in the absorption spectrum. Using the previously developed EXAFS equations it is now possible to model EXAFS data to determine coordination numbers, bond distances, and mean-square disorder (commonly referred to as Debye-Waller factor). EXAFS data is often shown by Fourier Transforming KSpace into distance, r, space where the total magnitude is plotted against the radial coordinates. This allow for easy qualitative comparison of samples. Employing EXAFS on nanoscale materials has the added advantage that it can quantitatively illustrate changes in atom-atom coordination, which can be related to particle size or morphology. Overall this technique enables the measurement of both bulk and surface adsor

Mukerjee, S.; Ziegelbauer, J; Arruda, T; Ramaker, D; Shyam, B

2008-01-01T23:59:59.000Z

29

In situ X-ray absorption spectroscopy--A probe of cathode materials...  

NLE Websites -- All DOE Office Websites (Extended Search)

2006 Authors Deb, Aniruddha, and Elton J. Cairns Journal Fluid Phase Equilibria Volume 241 Pagination 4-19 Keywords absorption-fine-structure, in situ electrochemistry,...

30

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

Science Conference Proceedings (OSTI)

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).

Osborne, G. C.; Kantsyrev, V. L.; Safronova, A. S.; Esaulov, A. A.; Weller, M. E.; Shrestha, I.; Shlyaptseva, V. V. [Physics Department, University of Nevada, Reno, Reno, Nevada 89557 (United States); Ouart, N. D. [Naval Research Laboratory, Washington, D.C. 20375 (United States)

2012-10-15T23:59:59.000Z

31

Development of Palladium L-Edge X-Ray Absorption Spectroscopy And Its Application for Chloropalladium Complexes  

Science Conference Proceedings (OSTI)

X-ray absorption spectroscopy (XAS) is a synchrotron-based experimental technique that provides information about geometric and electronic structures of transition metal complexes. Combination of metal L-edge and ligand K-edge XAS has the potential to define the complete experimental ground state electronic structures for metal complexes with unoccupied d manifolds. We developed a quantitative treatment for Pd L-edge spectroscopy on the basis of the well-established chlorine K-edge XAS for a series of chloropalladium complexes that are pre-catalysts in various organic transformations. We found that Pd-Cl bonds are highly covalent, such as 24 {+-} 2%, 34 {+-} 3%, and 48 {+-} 4% chloride 3p character for each Pd-Cl bond in [PdCl{sub 4}]{sup 2-}, [PdCl{sub 6}]{sup 2-}, and PdCl{sub 2}, respectively. Pd(2p {yields} 4d) transition dipole integrals of 20.8 (SSRL)/16.9 (ALS) eV and 14.1 (SSRL)/11.9 (ALS) eV were determined using various combinations of L-edges for Pd(II) and Pd(IV), respectively. Application of metal-ligand covalency and transition dipole integrals were demonstrated for the example of bridging chloride ligands in PdCl{sub 2}. Our work lays the foundation for extending the quantitative treatment to other catalytically important ligands, such as phosphine, phosphite, olefin, amine, and alkyl in order to correlate the electronic structures of palladium complexes with their catalytic activity.

Boysen, R.B.; Szilagyi, R.K.

2009-05-12T23:59:59.000Z

32

Speciation of Trace Elements in Biological and Environmental Samples by X-ray Absorption Spectroscopy: The Role of Plants and Microbes in Remediation  

Science Conference Proceedings (OSTI)

Plants can accumulate, detoxify, and transform trace elements present in contaminated soil and water, leading to the phytoremediation of contaminated sites. An important factor for consideration is the chemical form of trace elements accumulated in tissues of different plant species used for phytoremediation. This report describes the use of X-ray absorption spectroscopy (XAS) for successfully determining the speciation of trace elements in biological and environmental samples.

2001-11-21T23:59:59.000Z

33

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.  

Science Conference Proceedings (OSTI)

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.

Tew, M. W.; Miller, J. T.; van Bokhoven, J. A. (Chemical Sciences and Engineering Division); ( SUF-USR); (ETH Zurich)

2009-08-01T23:59:59.000Z

34

High Energy Resolution Fluorescence Detection X-Ray Absorption Spectroscopy: Detection of Adsorption Sites in Supported Metal Catalysts  

Science Conference Proceedings (OSTI)

High energy resolution fluorescence detection (HERFD) X-ray adsorption spectroscopy (XAS) is demonstrated as a new tool to identify the geometry of metal adsorption sites and the orbitals involved in bonding. The type of CO adsorption site on a nanoparticular Pt-Al2O3 catalyst is determined. The orbitals involved in the Pt - CO bonding are identified using theoretical FEFF8.0 calculations. In situ application of HERFD XAS is applicable to a large number of catalytic systems and will provide fundamental insights in structure - performance relationships.

Tromp, Moniek [University of Southampton, School of Chemistry, Highfield, Southampton, SO17 1BJ (United Kingdom); Bokhoven, Jeroen A. van [Institute for chemical and bioengineering ETH Zurich (Switzerland); Safonova, Olga V.; Glatzel, Pieter [ESRF, Grenoble (France); Groot, Frank M. F. de [Utrecht University, Utrecht (Netherlands); Evans, John [University of Southampton, School of Chemistry, Highfield, Southampton, SO17 1BJ (United Kingdom); Diamond Light Source, Didcot (United Kingdom)

2007-02-02T23:59:59.000Z

35

Hydrogen absorption in epitaxial W/Nb(001) and polycrystalline Fe/Nb(110) multilayers studied in-situ by X-ray/neutron scattering techniques and X-ray absorption spectroscopy  

DOE Green Energy (OSTI)

Hydrogen can be absorbed in large quantities by 100 {angstrom} thin Nb layers embedded in epitaxial W/Nb and polycrystalline Fe/Nb multilayers. The solubility and the hydrogen-induced structural changes of the host lattice are explored in-situ by small-angle neutron/X-ray reflectometry and high-angle diffraction. These measurements reveal for both systems that the relative out-of-plane expansion of the Nb layers is considerably larger than the relative increase of the Nb interplanar spacing indicating two distinctly different mechanisms of hydrogen absorption. In Fe/Nb multilayers, hydrogen expands the Nb interplanar spacing in a continuous way as function of the external pressure. In contrast, the Nb lattice expansion is discontinuous in epitaxial W/Nb multilayers: A jump in the Nb(002) Bragg reflection position occurs at a critical hydrogen pressure of 1 mbar. In-situ EXAFS spectroscopy also exhibits an irreversible expansion of the Nb lattice in the film plane for p{sub H{sub 2}}> 1 mbar. This can be regarded as a structural phase transition from an exclusively out-of-plane to a three-dimensionally expanded state at low and high hydrogen pressures, respectively.

Klose, F.; Rehm, C.; Fieber-Erdmann, M.; Holub-Krappe, E.; Bleif, H. J.; Sowers, H.; Goyette, R.; Troger, L.; Maletta, H.

1999-11-02T23:59:59.000Z

36

Conduction-band electronic states of YbInCu{sub 4} studied by photoemission and soft x-ray absorption spectroscopies  

SciTech Connect

We have studied conduction-band (CB) electronic states of a typical valence-transition compound YbInCu{sub 4} by means of temperature-dependent hard x-ray photoemission spectroscopy (HX-PES) of the Cu 2p{sub 3/2} and In 3d{sub 5/2} core states taken at h{nu}=5.95 keV, soft x-ray absorption spectroscopy (XAS) of the Cu 2p{sub 3/2} core absorption region around h{nu}{approx}935 eV, and soft x-ray photoemission spectroscopy (SX-PES) of the valence band at the Cu 2p{sub 3/2} absorption edge of h{nu}=933.0 eV. With decreasing temperature below the valence transition at T{sub V}=42 K, we have found that (1) the Cu 2p{sub 3/2} and In 3d{sub 5/2} peaks in the HX-PES spectra exhibit the energy shift toward the lower binding-energy side by {approx}40 and {approx}30 meV, respectively, (2) an energy position of the Cu 2p{sub 3/2} main absorption peak in the XAS spectrum is shifted toward higher photon-energy side by {approx}100 meV, with an appearance of a shoulder structure below the Cu 2p{sub 3/2} main absorption peak, and (3) an intensity of the Cu L{sub 3}VV Auger spectrum is abruptly enhanced. These experimental results suggest that the Fermi level of the CB-derived density of states is shifted toward the lower binding-energy side. We have described the valence transition in YbInCu{sub 4} in terms of the charge transfer from the CB to Yb 4f states.

Utsumi, Yuki; Kurihara, Hidenao; Maso, Hiroyuki; Tobimatsu, Komei [Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Sato, Hitoshi; Shimada, Kenya; Namatame, Hirofumi [Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima 739-0046 (Japan); Hiraoka, Koichi [Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577 (Japan); Kojima, Kenichi [Graduate School of Integrated Arts and Sciences, Hiroshima University, Higashi-Hiroshima 739-8521 (Japan); Ohkochi, Takuo; Fujimori, Shin-ichi; Takeda, Yukiharu; Saitoh, Yuji [Synchrotron Radiation Research Center, Japan Atomic Energy Agency, Hyogo 679-5148 (Japan); Mimura, Kojiro [Graduate School of Engineering, Osaka Prefecture University, Sakai 599-8531 (Japan); Ueda, Shigenori; Yamashita, Yoshiyuki; Yoshikawa, Hideki; Kobayashi, Keisuke [NIMS Beamline Station at SPring-8, National Institute for Materials Science, Hyogo 679-5148 (Japan); Oguchi, Tamio [ISIR, Osaka University, Ibaraki 567-0047 (Japan); Taniguchi, Masaki [Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima 739-0046 (Japan)

2011-09-15T23:59:59.000Z

37

Reply to Comment on"Isotope and Temperature Effects in Liquid Water Probed by X-ray Absorption and Resonant X-ray Emission Spectroscopy"  

Science Conference Proceedings (OSTI)

In Ref. [1], we present and analyze experimental high resolution x-ray emission spectra (XES) of liquid water which exhibit a splitting of the 1b1 line into two components. We also suggest a qualitative model to explain the experimental spectra which, even though tentative (as clearly stated in the summary of Ref. [1]), is able to explain ALL available experimental data. In the preceding Comment, Pettersson et al. [3]claim that a spectrum with two similarly sharp 1b1 features both from a dissociated product (d2) and from the intact molecule (d1) would be"unphysical and unsubstantiated" since"the path connecting initial and final structure" is not taken into account. In the meantime, we have collected new data [2], which further support and strengthen our model.

Heske, C.; Zharnikov, M.; Weinhardt, L.; Blum, M.; Weigand, M.; Zubavichus, Y.; Bar, M.; Maier, F.; Denlinger, J. D.; Fuchs, O.; Grunze, M.; Umbach, E.

2008-05-14T23:59:59.000Z

38

Short-range atomic structure of 1 wt. % Ga [delta]-stabilized plutonium by x-ray-absorption fine-structure spectroscopy  

Science Conference Proceedings (OSTI)

Using extended x-ray-absorption fine-structure (XAFS) spectroscopy we have determined the radii of the first three atomic shells around Ga and the first Pu shell in a fcc Pu alloy stabilized by 1 wt. % Ga. We find the Ga to be substitutional in the fcc lattice, with the first and second shells contracted by 3.7 and 0.9%, respectively, relative to distances expected from the lattice constant derived from x-ray diffraction. The lattice is well ordered around Ga, but there is considerable static disorder in all observed coordination shells of Pu. We discuss these results in relation to the mechanism by which Ga effects phase stabilization.

Cox, L.E.; Martinez, R. (Nuclear Materials Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)); Nickel, J.H.; Conradson, S.D.; Allen, P.G. (Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States))

1995-01-01T23:59:59.000Z

39

Effects of sulfation level on the desulfation behavior of pre-sulfated Pt BaO/Al2O3 lean NOx trap catalysts: a combined H2 Temperature-Programmed Reaction, in-situ sulfur K-edge X-ray Absorption Near-Edge Spectroscopy, X-ray Photoelectron Spectroscopy, and Time-Resolved X-ray Diffraction Study  

SciTech Connect

Desulfation by hydrogen of pre-sulfated Pt(2wt%) BaO(20wt%)/Al2O3 with various sulfur loading (S/Ba = 0.12, 0.31 and 0.62) were investigated by combining H2 temperature programmed reaction (TPRX), x-ray photoelectron spectroscopy (XPS), in-situ sulfur K-edge x-ray absorption near-edge spectroscopy (XANES), and synchrotron time-resolved x-ray diffraction (TR-XRD) techniques. We find that the amount of H2S desorbed during the desulfation in the H2 TPRX experiments is not proportional to the amount of initial sulfur loading. The results of both in-situ sulfur K-edge XANES and TR-XRD show that at low sulfur loadings, sulfates were transformed to a BaS phase and remained in the catalyst, rather than being removed as H2S. On the other hand, when the deposited sulfur level exceeded a certain threshold (at least S/Ba = 0.31) sulfates were reduced to form H2S, and the relative amount of the residual sulfide species in the catalyst was much less than at low sulfur loading. Unlike samples with high sulfur loading (e.g., S/Ba = 0.62), H2O did not promote the desulfation for the sample with S/Ba of 0.12, implying that the formed BaS species originating from the reduction of sulfates at low sulfur loading are more stable to hydrolysis. The results of this combined spectroscopy investigation provide clear evidence to show that sulfates at low sulfur loadings are less likely to be removed as H2S and have a greater tendency to be transformed to BaS on the material, leading to the conclusion that desulfation behavior of Pt BaO/Al2O3 lean NOx trap catalysts is markedly dependent on the sulfation levels.

Kim, Do Heui; Szanyi, Janos; Kwak, Ja Hun; Wang, Xianqin; Hanson, Jonathan C.; Engelhard, Mark H.; Peden, Charles HF

2009-04-03T23:59:59.000Z

40

Electronic structure of phospho-olivines LixFePO4 (x=0,1) fromsoft-x-ray-absorption and -emission spectroscopies  

Science Conference Proceedings (OSTI)

The electronic structure of the phospho-olivine LixFePO4 wasstudied using soft-x-ray-absorption (XAS) and emission spectroscopies.Characteristic changes in the valence and conduction bands are observedupon delithation of LiFePO4 into FePO4. In LiFePO4, the Fe-3d states arelocalized with little overlap with the O-2p states. Delithiation ofLiFePO4 gives stronger hybridization between Fe-3d states and O-2p statesleading to delocalization of the O-2p states. The Fe L-edge absorptionspectra yield "fingerprints" of the different valence states of Fe inLiFePO4 and FePO4. Resonant soft-x-ray-emission spectroscopy at the Fe Ledge shows strong contributions from resonant inelastic soft x-rayscattering (RIXS), which is described using an ionic picture of the Fe-3dstates. Together the Fe L-edge XAS and RIXS study reveals a bondingcharacter of the Fe 3d-O2p orbitals in FePO4 in contrast to a nonbondingcharacter in LiFePO4.

Augustsson, A.; Zhuang, G.V.; Butorin, S.M.; Osorio-Guillen,J.M.; Dong, C.L.; Ahuja, R.; Chang, C.L.; Ross, P.N.; Nordgren, J.; Guo,J.-H.

2005-07-17T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
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they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
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41

X-ray Diagnostics of Broad Absorption Line Quasar Geometry  

E-Print Network (OSTI)

A new generation of sensitive X-ray measurements are indicating that the existence of X-ray attenuation column densities, $N_{H}>10^{24}\\mathrm{cm}^{-2}$ is quite common amongst broad absorption line quasars (BALQSOs). This is significant to the geometry of the broad absorption line (BAL) outflow. In particular, such an X-ray shield also shields equatorial accretion disk winds from the UV, thereby preventing high velocity equatorial outflows from being launched. By contrast, bipolar winds initiated by continuum radiation pressure from the funnel of a slim accretion disk flare outward (like a trumpet) and offer vastly different absorbing columns to the X-ray and UV emission which are emitted from distinct regions of the disk, $\\sim 6M$ and $\\sim 10M-40M$, respectively (where $M$ is the radius of the black hole). Recent numerical work indicates that it is also possible to launch bipolar outflows from the inner regions of a thin disk. The recent discovery with VLBI that the Galactic analog of a BALQSO, the X-ray binary Circinus X-1 (with high velocity P Cygni X-ray absorption lines) is viewed virtually along the radio jet axis (and therefore along the spin axis of the black hole and the normal to the accretion disk) has rekindled interest in the bipolar models of BALQSOs. We explore this possibility by studying the nearest BAL QSO, MRK 231. High resolution 2-D optical spectroscopy and VLBI mappings of the radio jet axis indicates that the BAL outflow is parallel to the parsec scale radio jet.

Brian Punsly; Sebastian Lipari

2005-03-09T23:59:59.000Z

42

Effects of Sulfation Level on the Desulfation Behavior of Presulfated Pt-BaO/Al2O3 Lean NOx Trap Catalysts: A Combined H2 Temperature-Programmed Reaction, in Situ Sulfur K-Edge X-ray Absorption Near-Edge Spectroscopy, X-ray Photoelectron Spectroscopy, and Time-Resolved X-ray Diffraction Study  

SciTech Connect

Desulfation by hydrogen of presulfated Pt (2 wt %)-BaO(20 wt %)/Al{sub 2}O{sub 3} with various sulfur loading (S/Ba = 0.12, 0.31, and 0.62) were investigated by combining H{sub 2} temperature programmed reaction (TPRX), X-ray photoelectron spectroscopy (XPS), in situ sulfur K-edge X-ray absorption near-edge spectroscopy (XANES), and synchrotron time-resolved X-ray diffraction (TR-XRD) techniques. We find that the amount of H{sub 2}S desorbed during the desulfation in the H{sub 2} TPRX experiments is not proportional to the amount of initial sulfur loading. The results of both in situ sulfur K-edge XANES and TR-XRD show that at low sulfur loadings, sulfates were transformed to a BaS phase and remained in the catalyst rather than being removed as H{sub 2}S. On the other hand, when the deposited sulfur level exceeded a certain threshold (at least S/Ba = 0.31) sulfates were reduced to form H{sub 2}S, and the relative amount of the residual sulfide species in the catalyst was much less than at low sulfur loading. Unlike samples with high sulfur loading (e.g., S/Ba = 0.62), H{sub 2}O did not promote the desulfation for the sample with S/Ba of 0.12, implying that the formed BaS species originating from the reduction of sulfates at low sulfur loading are more stable to hydrolysis. The results of this combined spectroscopy investigation provide clear evidence to show that sulfates at low sulfur loadings are less likely to be removed as H{sub 2}S and have a greater tendency to be transformed to BaS on the material, leading to the conclusion that desulfation behavior of Pt-BaO/Al{sub 2}O{sub 3} lean NO{sub x} trap catalysts is markedly dependent on the sulfation levels.

Kim, D.H.; Hanson, J.; Szanyi, J.; Kwak, J.H.; Wang, X.; Hanson, J.C.; Engelhard, M.; and Peden, C.H.F.

2009-04-30T23:59:59.000Z

43

X-ray absorption studies of battery materials  

SciTech Connect

X-ray absorption spectroscopy (XAS) is ideal for {ital in}{ital situ} studies of battery materials because both the probe and signal are penetrating x rays. The advantage of XAS being element specific permits investigation of the environment of a constituent element in a composite material. This makes it very powerful for studying electrode additives and corrosion of individual components of complex metal hydride alloys. The near edge part of the spectrum (XANES) provides information on oxidation state and site symmetry of the excited atom. This is particularly useful in study of corrosion and oxidation changes in cathode materials during charge/discharge cycle. Extended fine structure (EXAFS) gives structural information. Thus the technique provides both chemical and structural information. Since XAS probes only short range order, it can be applied to study of amorphous electrode materials and electrolytes. This paper discusses advantages and limitations of the method, as well as some experimental aspects.

McBreen, J.

1996-10-01T23:59:59.000Z

44

Statistically meaningful data on the chemical state of ironprecipitates in processed multicrystalline silicon usingsynchrotron-based X-ray absorption spectroscopy  

DOE Green Energy (OSTI)

X-ray fluorescence microscopy (mu-XRF), x-ray beam induced current (XBIC), and x-ray absorption spectromicroscopy (mu-XAS) were performed on fully-processed Bay Six cast multicrystalline silicon and aluminum-gettered AstroPower Silicon-Film(TM) sheet material. Over ten iron precipitates--predominantly of iron silicide--were identified at low lifetime regions in both materials, both at grain boundaries and intragranular defects identified by XBIC. In addition, large (micron-sized) particles containing oxidized iron and other impurities (Ca, Cr, Mn) were found in BaySix material. The smaller iron silicide precipitates were more numerous and spatially distributed than their larger oxidized iron counterparts, and thus deemed more detrimental to minority carrier diffusion length.

Buonassisi, T.; Heuer, M.; Istratov, A.A.; Weber, E.R.; Cai, Z.; Lai, B.; Marcus, M.; Lu, J.; Rozgonyi, G.; Schindler, R.; Jonczyk, R.; Rand, J.

2004-11-08T23:59:59.000Z

45

ESRF HIGHLIGHTS 2005 X-RAY ABSORPTION AND MAGNETIC SCATTERING  

E-Print Network (OSTI)

96 ESRF HIGHLIGHTS 2005 X-RAY ABSORPTION AND MAGNETIC SCATTERING References [1] C. Antoniak, J to original phenomena. These effects are observed in charge-density wave (CDW) materials. Upon cooling of the screw like dislocation shown in Figure 121b. #12;97 HIGHLIGHTS 2005 ESRF X-RAY ABSORPTION AND MAGNETIC

Paris-Sud 11, Université de

46

Formation of an SEI on a LiMn(2)O(4) Cathode during Room Temperature Charge-Discharge Cycling Studied by Soft X-Ray Absorption Spectroscopy at the Fluorine K-edge  

DOE Green Energy (OSTI)

The solid electrolyte interface (SEI) formation on the surface of LiMn{sub 2}O{sub 4} electrodes during room temperature charge-discharge cycling was studied using soft X-ray absorption spectroscopy at the Fluorine (F) K-edge. LiMn{sub 2}O{sub 4} electrodes without any binder were prepared by electrostatic spray deposition to eliminate the signal originating from the PVDF binder in the F K-edge X-ray absorption spectra. The F K-edge absorption spectra show that the SEI layer forms at a very early stage of cycling. SEI growth takes place during discharge. In addition, LiF formation is accelerated if the discharge step follows a charge step. The F K-edge absorption spectra suggest that the major component of the SEI is LiF.

Chung, K.Y.; Yang, X.; Yoon, W.-S.; Kim, K.-B.; Cho, B.-W.

2011-11-01T23:59:59.000Z

47

Quick-scanning x-ray absorption spectroscopy system with a servo-motor-driven channel-cut monochromator with a temporal resolution of 10 ms  

SciTech Connect

We have developed a quick-scanning x-ray absorption fine structure (QXAFS) system and installed it at the recently constructed synchrotron radiation beamline BL33XU at the SPring-8. Rapid acquisition of high-quality QXAFS data was realized by combining a servo-motor-driven Si channel-cut monochromator with a tapered undulator. Two tandemly aligned monochromators with channel-cut Si(111) and Si(220) crystals covered energy ranges of 4.0-28.2 keV and 6.6-46.0 keV, respectively. The system allows the users to adjust instantly the energy ranges of scans, the starting angles of oscillations, and the frequencies. The channel-cut crystals are cooled with liquid nitrogen to enable them to withstand the high heat load from the undulator radiation. Deformation of the reflecting planes is reduced by clamping each crystal with two cooling blocks. Performance tests at the Cu K-edge demonstrated sufficiently high data quality for x-ray absorption near-edge structure and extended x-ray absorption fine-structure analyses with temporal resolutions of up to 10 and 25 ms, respectively.

Nonaka, T.; Dohmae, K.; Araki, T.; Hayashi, Y.; Hirose, Y. [Toyota Central R and D Labs., Inc., Nagakute, Aichi 480-1192 (Japan); Uruga, T.; Yamazaki, H.; Tanida, H.; Goto, S. [JASRI/Spring-8, 1-1-1, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Mochizuki, T. [JASRI/Spring-8, 1-1-1, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Toyama Corp., Zama, Kanagawa 228-0003 (Japan)

2012-08-15T23:59:59.000Z

48

X-ray absorption spectroscopy  

E-Print Network (OSTI)

crystal XAS data from PS II at SSRL BL 9-3. It consists of aRadiation Laboratory (SSRL), the Advanced Light Source (operated by DOE OBES. The SSRL Biomedical Technology program

Yano, Junko; Yachandra, Vittal K.

2009-01-01T23:59:59.000Z

49

X-ray Absorption Spectroscopy  

E-Print Network (OSTI)

crystal XAS data from PS II at SSRL BL 9-3. It consists of aRadiation Laboratory (SSRL), the Advanced Light Source (operated by DOE OBES. The SSRL Biomedical Technology program

Yano, Junko

2010-01-01T23:59:59.000Z

50

Core Level Spectroscopies Surface Science and X-Ray Spectroscopy Group  

NLE Websites -- All DOE Office Websites (Extended Search)

Core Level Spectroscopy Creation and Decay of Core Holes Spectroscopic Techniques X-ray Photoelectron (XPS) X-ray Absorption (XAS) X-ray Emission (XES) Auger Electron (AES) Core holes are created by the ionization of a core electron in XPS and by excitation in XAS . The XPS and XAS final states are highly unstable and the core hole decays by non-radiant Auger relaxation (AES) or by radiant x-ray emission processes (XES). XPS and AES probe the unoccupied electronic stru cture, while XAS projects the unoccupied valence states of the system onto a particular atom. A brief description of the each of the different spectroscopies illustrated by schematic pictures of the creation and decay with data measured for N2 adsorbed on Ni(100) can be found by scrolling

51

Multivariate Curve Resolution Analysis for Interpretation of Dynamic Cu K-Edge X-ray Absorption Spectroscopy Spectra for a Cu Doped V2O5 Lithium Battery  

DOE Green Energy (OSTI)

Vanadium pentoxide materials prepared through sol-gel processes act as excellent intercalation hosts for lithium as well as polyvalent cations. A chemometric approach has been applied to study the X-ray absorption near-edge structure (XANES) evolution during in situ scanning of the Cu{sub 0.1}V{sub 2}O{sub 5} xerogel/Li ions battery. Among the more common techniques, the fixed size windows evolving factor analysis (FSWEFA) permits the number of species involved in the experiment to be determined and the range of existence of each of them. This result, combined with the constraints of the invariance of the total concentration and non-negativity of both concentrations and spectra, enabled us to obtain the spectra of the pure components using a multivariate curve resolution refined by an alternate least squares fitting procedure. This allowed the normalized concentration profile to be understood. This data treatment evidenced the occurrence, for the first time, of three species during the battery charging. This fact finds confirmation by comparison of the pure spectra with the experimental ones. Extended X-ray absorption fine structure (EXAFS) analysis confirms the occurrence of three different chemical environments of Cu during battery charging.

Conti, P.; Zamponi, S; Giorgetti, M; Berrettoni, M; Smyrl, W

2010-01-01T23:59:59.000Z

52

High-Resolution X-ray Spectroscopy  

Science Conference Proceedings (OSTI)

... In support of these efforts, we also maintain laboratory x-ray sources from 1 keV to 300 keV, energy and intensity calibration facilities, and a vacuum ...

2013-02-26T23:59:59.000Z

53

Computation of X-Ray Absorption  

Science Conference Proceedings (OSTI)

... of the absorption at other energies, assuming they ... and at DoE's National Energy Research Scientific ... With the improved efficiency of FeffMPI now in ...

2011-01-21T23:59:59.000Z

54

An in situ X-ray absorption spectroscopy investigation of the effect of Sn additions to carbon-supported Pt electrocatalysts: Part 1  

Science Conference Proceedings (OSTI)

Carbon-supported platinum (Pt/C) with an adsorbed layer of underpotential deposited (upd) Sn is a much better catalyst for the methanol oxidation reaction (MOR) than a carbon-supported platinum-tin (PtSn/C) alloy. In situ X-ray absorption (XAS) was used to determine the differences in the effects that the two methods of Sn addition have on the electronic properties and the structural properties of the catalyst. X-ray diffraction and XAS at the Pt L{sub 3} and L{sub 2} edges indicate that the PtSn/C catalyst has a Pt{sub 3}Sn L1{sub 2} structure, and alloying with Sn causes partial filling of the Pt d band vacancies and an increase in the Pt-Pt bond distance from 2.77 to 2.8 {angstrom}. However, upd Sn does not perturb Pt structurally or electronically. XAS at the Sn K edge indicates that both the upd Sn on Pt/C and the surface Sn on PtSn/C are associated with oxygenated species at all potentials, and that the nature and strength of the Sn-O bonds are potential dependent. The differences in the activity of the two catalysts for the MOR are due to the effects of alloying on the Pt electronic structure that inhibit the ability of the Pt to adsorb methanol and dissociate C-H bonds. The ability of PtSn/C to adsorb oxygen at low potentials enhances its activity for CO oxidation.

Mukerjee, S.; McBreen, J. [Brookhaven National Lab., Upton, NY (United States). Dept. of Applied Science

1999-02-01T23:59:59.000Z

55

Photon Sciences | Beamlines | SRX: Submicron Resolution X-ray Spectroscopy  

NLE Websites -- All DOE Office Websites (Extended Search)

SRX: Submicron Resolution X-ray Spectroscopy SRX: Submicron Resolution X-ray Spectroscopy Poster | Fact Sheet | Preliminary Design Report Scientific Scope Scientific communities such as environmental sciences, life sciences, and material sciences have identified the need to develop analytical resources to advance the understanding of complex natural and engineered systems that are heterogeneous on the micron to nanometer scale. These needs for high intensity x-ray nanoprobes resulted in the commitment of the NSLS-II Project to build the Submicron Resolution X-ray (SRX) Spectroscopy beamline showing a unique combination of high spectral resolution over a very broad energy range and very high beam intensity in a sub-micrometer spot. NSLS-II will provide one of the best sources in the world for such an instrument.

56

Calibration of X-ray absorption in our Galaxy  

E-Print Network (OSTI)

Prediction of the soft X-ray absorption along lines of sight through our Galaxy is crucial for understanding the spectra of extragalactic sources, but requires a good estimate of the foreground column density of photoelectric absorbing species. Assuming uniform elemental abundances this reduces to having a good estimate of the total hydrogen column density, N(Htot)=N(HI)+2N(H2). The atomic component, N(HI), is reliably provided using the mapped 21 cm radio emission but estimating the molecular hydrogen column density, N(H2), expected for any particular direction, is difficult. The X-ray afterglows of GRBs are ideal sources to probe X-ray absorption in our Galaxy because they are extragalactic, numerous, bright, have simple spectra and occur randomly across the entire sky. We describe an empirical method, utilizing 493 afterglows detected by the Swift XRT, to determine N(Htot) through the Milky Way which provides an improved estimate of the X-ray absorption in our Galaxy and thereby leads to more reliable meas...

Willingale, R; Beardmore, A P; Tanvir, N R; O'Brien, P T

2013-01-01T23:59:59.000Z

57

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

DOE Green Energy (OSTI)

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.

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

2010-05-01T23:59:59.000Z

58

X-Ray Absorption Characterization of Diesel Exhaust Particulates  

DOE Green Energy (OSTI)

We have characterized particulates from a 1993 11.1 Detroit Diesel Series 60 engine with electronic unit injectors operated using fuels with and without methylcyclopentadienyl manganese tricarbonyl (MMT) and overbased calcium sulfonate added. X-ray photoabsorption (XAS) spectroscopy was used to characterize the diesel particulates. Results reveal a mixture of primarily Mn-phosphate with some Mn-oxide, and Ca-sulfate on the surface of the filtered particulates from the diesel engine.

Nelson, A J; Ferreira, J L; Reynolds, J G; Roos, J W

1999-11-18T23:59:59.000Z

59

Single atom identification by energy dispersive x-ray spectroscopy  

SciTech Connect

Using aberration-corrected scanning transmission electron microscope and energy dispersive x-ray spectroscopy, single, isolated impurity atoms of silicon and platinum in monolayer and multilayer graphene are identified. Simultaneously acquired electron energy loss spectra confirm the elemental identification. Contamination difficulties are overcome by employing near-UHV sample conditions. Signal intensities agree within a factor of two with standardless estimates.

Lovejoy, T. C.; Dellby, N.; Krivanek, O. L. [Nion, 1102 8th St., Kirkland, Washington 98033 (United States); Ramasse, Q. M. [SuperSTEM Laboratory, STFC Daresbury, Keckwick Lane, Daresbury WA4 4AD (United Kingdom); Falke, M.; Kaeppel, A.; Terborg, R. [Bruker Nano GmbH, Schwarzschildstr. 12, 12489 Berlin (Germany); Zan, R. [School of Physics and Astronomy, University of Manchester, Manchester M13 9PL (United Kingdom)

2012-04-09T23:59:59.000Z

60

X-RAY ABSORPTION OF HIGH-REDSHIFT QUASARS  

SciTech Connect

The soft X-ray photoelectric absorption of high-z quasars has been known for two decades, but has no unambiguous astrophysical context. We construct the largest sample to date of 58 high-redshift quasars (z > 0.45) selected from the XMM-Newton archive based on a high photon count criterion (>1800). We measure the optical depth {tau} at 0.5 keV and find that 43% of the quasars show significant absorption. We aim to find which physical parameters of the quasars, e.g., redshift, radio luminosity, radio loudness, or X-ray luminosity, drive their observed absorption. We compare the absorption behavior with redshift with the pattern expected if the diffuse intergalactic medium (IGM) is responsible for the observed absorption. We also compare the absorption with a comparison sample of gamma-ray burst (GRB) X-ray afterglows. Although the z > 2 quasar opacity is consistent with diffuse IGM absorption, many intermediate-z (0.45 < z < 2) quasars are not sufficiently absorbed for this scenario, and are appreciably less absorbed than GRBs. Only 10/37 quasars at z < 2 are absorbed, and only 5/30 radio-quiet quasars are absorbed. We find a weak correlation between {tau} and z, and an even weaker correlation between {tau} and radio luminosity. These findings lead to the conclusion that although a diffuse IGM origin for the quasar absorption is unlikely, the optical depth does seem to increase with redshift, roughly as (1 + z){sup 2.2{+-}0.6}, tending to {tau} Almost-Equal-To 0.4 at high redshifts, similar to the high-z GRBs. This result can be explained by an ionized and clumpy IGM at z < 2, and a cold, diffuse IGM at higher redshift. If, conversely, the absorption occurs at the quasar, and owing to the steep L{sub x} {proportional_to}(1 + z){sup 7.1{+-}0.5} correlation in the present sample, the host column density scales as N{sub H}{proportional_to}L{sub x}{sup 0.7{+-}0.1}.

Eitan, Assaf; Behar, Ehud, E-mail: sassafe@tx.technion.ac.il, E-mail: behar@physics.technion.ac.il [Physics Department, Technion, Haifa 32000 (Israel)

2013-09-01T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
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61

Proton induced quasi-monochromatic x-ray beams for soft x-ray spectroscopy studies and selective x-ray fluorescence analysis  

Science Conference Proceedings (OSTI)

We present the analytical features and performance of an x-ray spectroscopy end station of moderate energy resolution operating with proton-induced quasi-monochromatic x-ray beams. The apparatus was designed, installed and operated at the 5.5 MV Tandem VdG Accelerator Laboratory of the Institute of Nuclear Physics, N.C.S.R. 'Demokritos,' Athens. The setup includes a two-level ultrahigh vacuum chamber that hosts in the lower level up to six primary targets in a rotatable holder; there, the irradiation of pure element materials-used as primary targets-with few-MeV high current ({approx}{mu}A) proton beams produces intense quasi-monochromatic x-ray beams of selectable energy. In the chamber's upper level, a six-position rotatable sample holder hosts the targets considered for x-ray spectroscopy studies. The proton-induced x-ray beam, after proper collimation, is guided to the sample position whereas various filters can be also inserted along the beam's path to eliminate the backscattered protons or/and to absorb selectively components of the x-ray beam. The apparatus incorporates an ultrathin window Si(Li) spectrometer (FWHM 136 eV at 5.89 keV) coupled with low-noise electronics capable of efficiently detecting photons down to carbon K{alpha}. Exemplary soft x-ray spectroscopy studies and results of selective x-ray fluorescence analysis are presented.

Sokaras, D. [Institute of Nuclear Physics, N.C.S.R. Demokritos, Aghia Paraskevi, 15310 Athens (Greece); Zarkadas, Ch. [PANalytical B.V., 7600 AA Almelo (Netherlands); Fliegauf, R.; Beckhoff, B. [Physikalisch-Technische Bundesanstalt, Abbestrasse 2-12, 10587 Berlin (Germany); Karydas, A. G. [Institute of Nuclear Physics, N.C.S.R. Demokritos, Aghia Paraskevi, 15310 Athens (Greece); Nuclear Spectrometry and Applications Laboratory, IAEA Laboratories, A-2444 Seibersdorf (Austria)

2012-12-15T23:59:59.000Z

62

SSRL School on Synchrotron X-ray Spectroscopy Techniques in Environmental  

NLE Websites -- All DOE Office Websites (Extended Search)

Home Home Agenda Location Visitor Information Transportation Tourism & Dining SSRL School on Synchrotron X-ray Spectroscopy Techniques in Environmental and Materials Sciences: Theory and Application June 2-5, 2009 Group photo of the attendees at the SSRL School on X-ray Spectropscopy Techniques in Environmental and Materials Sciences: Theory and Application held June 2-5, 2009 at the Stanford Synchrotron Radiation Lightsource. » View photos from XAS 2009 Overview: Modern synchrotron radiation based X-ray absorption spectroscopy (SR-XAS) techniques offer the ability to probe local molecular scale physical and electronic structures that govern key properties of technological and environmental materials and molecular complexes. The high collimation, intensity, and tunability of SR allow the investigation of a wide range of materials, including thin films and interfaces, nanoparticles, amorphous materials, solutions, hydrated and disordered bacteriogenic minerals, soils, interfaces, and dissolved species.

63

Synchrotron radiation x-ray absorption fine-structure and Raman studies on CdZnTe ternary alloys  

E-Print Network (OSTI)

The synchrotron radiation (SR) X-ray absorption fine-structure spectroscopy (XAFS) technology has been employed to obtained Zn K-edge absorption spectra for Cd1[subscript 1-x]Zn[subscript x]Te alloy with x = 0.03, 0.10, ...

Becla, Piotr

64

X-ray spectroscopy of neutron star low-mass X-ray binaries  

E-Print Network (OSTI)

In this thesis, I present work spanning a variety of topics relating to neutron star lowmass X-ray binaries (LMXBs) and utilize spectral information from X-ray observations to further our understanding of these sources. ...

Krauss, Miriam Ilana

2007-01-01T23:59:59.000Z

65

Modeling broadband X-ray absorption of massive star winds  

E-Print Network (OSTI)

We present a method for computing the net transmission of X-rays emitted by shock-heated plasma distributed throughout a partially optically thick stellar wind from a massive star. We find the transmission by an exact integration of the formal solution, assuming the emitting plasma and absorbing plasma are mixed at a constant mass ratio above some minimum radius, below which there is assumed to be no emission. This model is more realistic than either the slab absorption associated with a corona at the base of the wind or the exospheric approximation that assumes all observed X-rays are emitted without attenuation from above the radius of optical depth unity. Our model is implemented in XSPEC as a pre-calculated table that can be coupled to a user-defined table of the wavelength dependent wind opacity. We provide a default wind opacity model that is more representative of real wind opacities than the commonly used neutral ISM tabulation. Preliminary modeling of \\textit{Chandra} grating data indicates that the ...

Leutenegger, Maurice A; Zsarg, Janos; Martell, Erin M; MacArthur, James P; Owocki, Stanley P; Gagn, Marc; Hillier, D John

2010-01-01T23:59:59.000Z

66

High-Resolution Structure of the Photosynthetic Mn4Ca Catalyst from X-ray Spectroscopy  

Science Conference Proceedings (OSTI)

The application of high-resolution X-ray spectroscopy methods to study the photosynthetic water oxidizing complex, which contains a unique hetero-nuclear catalytic Mn4Ca cluster, are described. Issues of X-ray damage especially at the metal sites in the Mn4Ca cluster are discussed. The structure of the Mn4Ca catalyst at high-resolution which has so far eluded attempts of determination by X-ray diffraction, EXAFS and other spectroscopic techniques has been addressed using polarized EXAFS techniques applied to oriented PS II membrane preparations and PS II single crystals. A review of how the resolution of traditional EXAFS techniques can be improved, using methods such as range-extended EXAFS is presented, and the changes that occur in the structure of the cluster as it advances through the catalytic cycle are described. X-ray absorption and emission techniques (XANES and K? emission) have been used earlier to determine the oxidation states of the Mn4Ca cluster, and in this report we review the use of X-ray resonant Raman spectroscopy to understand the electronic structure of the Mn4Ca cluster as it cycles through the intermediate S-states.

Yachandra, Vittal; Yano, Junko; Kern, Jan; Pushkar, Yulia; Sauer, Kenneth; Glatzel, Pieter; Bergmann, Uwe; Messinger, Johannes; Zouni, Athina; Yachandra, Vittal K.

2007-08-01T23:59:59.000Z

67

SURFACE SEGREGATION STUDIES OF SOFC CATHODES: COMBINING SOFT X-RAYS AND ELECTROCHEMICAL IMPEDENCE SPECTROSCOPY  

DOE Green Energy (OSTI)

A system to grow heteroepitaxial thin-films of solid oxide fuel cell (SOFC) cathodes on single crystal substrates was developed. The cathode composition investigated was 20% strontium-doped lanthanum manganite (LSM) grown by pulsed laser deposition (PLD) on single crystal (111) yttria-stabilized zirconia (YSZ) substrates. By combining electrochemical impedance spectroscopy (EIS) with x-ray photoemission spectroscopy (XPS) and x-ray absorption spectroscopy XAS measurements, we conclude that electrically driven cation migration away from the two-phase gas-cathode interface results in improved electrochemical performance. Our results provide support to the premise that the removal of surface passivating phases containing Sr2+ and Mn2+, which readily form at elevated temperatures even in O2 atmospheric pressures, is responsible for the improved cathodic performance upon application of a bias.

Miara, Lincoln J.; Piper, L.F.J.; Davis, Jacob N.; Saraf, Laxmikant V.; Kaspar, Tiffany C.; Basu, Soumendra; Smith, K. E.; Pal, Uday B.; Gopalan, Srikanth

2010-12-01T23:59:59.000Z

68

Determining the Uncertainty of X-Ray Absorption ...  

Science Conference Proceedings (OSTI)

... The apparatus uses a tungsten filament and a tungsten target to generate x rays and the detector contains a CZT crystal. ...

2005-01-28T23:59:59.000Z

69

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

Science Conference Proceedings (OSTI)

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.

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

2012-11-21T23:59:59.000Z

70

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

Science Conference Proceedings (OSTI)

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.

Nelson, George; Harris, William; Izzo, John; Grew, Kyle N. (Connecticut); (USARL)

2012-01-20T23:59:59.000Z

71

Ultrafast X-ray and 2-dimensional UV Spectroscopy of TiO2 ...  

Science Conference Proceedings (OSTI)

Presentation Title, Ultrafast X-ray and 2-dimensional UV Spectroscopy of TiO2 Nanoparticles. Author(s), Majed Chergui. On-Site Speaker (Planned), Majed...

72

Determining Relative f and d Orbital Contributions to M?Cl Covalency in MCl62 (M = Ti, Zr, Hf, U) and UOCl5 Using Cl K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory  

SciTech Connect

Chlorine K-edge X-ray absorption spectroscopy (XAS) and ground-state and time-dependent hybrid density functional theory (DFT) were used to probe electronic structure for O{sub h}-MCl{sub 6}{sup 2-}(M = Ti, Zr, Hf, U) and C{sub 4v}-UOCl{sub 5}{sup -}, and to determine the relative contributions of valence 3d, 4d, 5d, 6d, and 5f orbitals in M-Cl bonding. Spectral interpretations were guided by time-dependent DFT calculated transition energies and oscillator strengths, which agree well with the experimental XAS spectra. The data provide new spectroscopic evidence for the involvement of both 5f and 6d orbitals in actinide-ligand bonding in UCl{sub 6}{sup 2-}. For the MCl{sub 6}{sup 2-}, where transitions into d orbitals of t{sub 2g} symmetry are spectroscopically resolved for all four complexes, the experimentally determined Cl 3p character per M-Cl bond increases from 8.3(4)% (TiCl{sub 6}{sup 2-}) to 10.3(5)% (ZrCl{sub 6}{sup 2-}), 12(1)% (HfCl{sub 6}{sup 2-}), and 26 18(1)% (UCl{sub 6}{sup 2-}). Chlorine K-edge XAS spectra of UOCl{sub 5}{sup -} provide additional insights into the transition assignments by 27 lowering the symmetry to C{sub 4v}, where five pre-edge transitions into both 5f and 6d orbitals are observed. For UCl{sub 6}{sup 2-}, the XAS data 28 suggest that orbital mixing associated with the U 5f orbitals is considerably lower than that of the U 6d orbitals. For both UCl{sub 6}{sup 2-}29 and UOCl{sub 5}{sup -}, the ground-state DFT calculations predict a larger 5f contribution to bonding than is determined experimentally. 30 These findings are discussed in the context of conventional theories of covalent bonding for d- and f-block metal complexes.

Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R.; Boland, Kevin S.; Clark, David L.; Conradson, Steven D.; Kozimor, Stosh A.; Martin, Richard L.; Schwarz, Daniel E.; Shuh, David K.; Wagner, Gregory L.; Wilkerson, Marianne P.; Wolfsberg, Laura E.; Yang, Ping

2012-03-09T23:59:59.000Z

73

WEAK HARD X-RAY EMISSION FROM TWO BROAD ABSORPTION LINE QUASARS OBSERVED WITH NuSTAR: COMPTON-THICK ABSORPTION OR INTRINSIC X-RAY WEAKNESS?  

SciTech Connect

We present Nuclear Spectroscopic Telescope Array (NuSTAR) hard X-ray observations of two X-ray weak broad absorption line (BAL) quasars, PG 1004+130 (radio loud) and PG 1700+518 (radio quiet). Many BAL quasars appear X-ray weak, probably due to absorption by the shielding gas between the nucleus and the accretion-disk wind. The two targets are among the optically brightest BAL quasars, yet they are known to be significantly X-ray weak at rest-frame 2-10 keV (16-120 times fainter than typical quasars). We would expect to obtain Almost-Equal-To 400-600 hard X-ray ({approx}> 10 keV) photons with NuSTAR, provided that these photons are not significantly absorbed (N{sub H} {approx}< 10{sup 24} cm{sup -2}). However, both BAL quasars are only detected in the softer NuSTAR bands (e.g., 4-20 keV) but not in its harder bands (e.g., 20-30 keV), suggesting that either the shielding gas is highly Compton-thick or the two targets are intrinsically X-ray weak. We constrain the column densities for both to be N{sub H} Almost-Equal-To 7 Multiplication-Sign 10{sup 24} cm{sup -2} if the weak hard X-ray emission is caused by obscuration from the shielding gas. We discuss a few possibilities for how PG 1004+130 could have Compton-thick shielding gas without strong Fe K{alpha} line emission; dilution from jet-linked X-ray emission is one likely explanation. We also discuss the intrinsic X-ray weakness scenario based on a coronal-quenching model relevant to the shielding gas and disk wind of BAL quasars. Motivated by our NuSTAR results, we perform a Chandra stacking analysis with the Large Bright Quasar Survey BAL quasar sample and place statistical constraints upon the fraction of intrinsically X-ray weak BAL quasars; this fraction is likely 17%-40%.

Luo, B.; Brandt, W. N. [Department of Astronomy and Astrophysics, 525 Davey Lab, The Pennsylvania State University, University Park, PA 16802 (United States); Alexander, D. M.; Hickox, R. [Department of Physics, Durham University, South Road, Durham DH1 3LE (United Kingdom); Harrison, F. A.; Fuerst, F.; Grefenstette, B. W.; Madsen, K. K. [Cahill Center for Astronomy and Astrophysics, California Institute of Technology, Pasadena, CA 91125 (United States); Stern, D. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States); Bauer, F. E. [Departamento de Astronomia y Astrofisica, Pontificia Universidad Catolica de Chile, Casilla 306, Santiago 22 (Chile); Boggs, S. E.; Craig, W. W. [Space Sciences Laboratory, University of California, Berkeley, CA 94720 (United States); Christensen, F. E. [DTU Space-National Space Institute, Technical University of Denmark, Elektrovej 327, DK-2800 Lyngby (Denmark); Comastri, A. [INAF-Osservatorio Astronomico di Bologna, Via Ranzani 1, I-40127 Bologna (Italy); Fabian, A. C. [Institute of Astronomy, Madingley Road, Cambridge CB3 0HA (United Kingdom); Farrah, D. [Department of Physics, Virginia Tech, Blacksburg, VA 24061 (United States); Fiore, F. [Osservatorio Astronomico di Roma, via Frascati 33, I-00040 Monteporzio Catone (Italy); Hailey, C. J. [Columbia Astrophysics Laboratory, Columbia University, New York, NY 10027 (United States); Matt, G. [Dipartimento di Matematica e Fisica, Universita degli Studi Roma Tre, via della Vasca Navale 84, I-00146 Roma (Italy); Ogle, P. [IPAC, California Institute of Technology, Mail Code 220-6, Pasadena, CA 91125 (United States); and others

2013-08-01T23:59:59.000Z

74

Novel Approaches to Soft X-ray Spectroscopy: Scanning TransmissionX-ray Microscopy and Ambient Pressure X-Ray PhotoelectronSpectroscopy  

Science Conference Proceedings (OSTI)

This workshop focused on novel spectroscopies at Beamlines 11.0.2, 5.3.2 and 9.3.2 at the ALS. The workshop brought together users from a wide range of fields to highlight recent experimental and technical developments both in scanning transmission X-ray spectroscopy (STXM) and ambient pressure photoelectron spectroscopy (APPES). The morning session featured talks on experiments involving new developments at the STXM, while the afternoon session was devoted to those using APXPS. In the morning session, Tolek Tyliszczak discussed the improved detector developments at the STXM, such as an avalanche photodiode detector and fluorescence and electron detection, as well as the continued development of in situ cells for heating, gas flow, and electrochemical cells. Of these, only the avalanche photodiode in combination with a novel multichannel photon-counting system is in routine use in time-resolved studies. Bartel Van Waeyenberge (Ghent University) presented results of magnetic imaging with a time resolution of 70-100 ps combined with a lateral resolution of 20-40 nm performed with the STXM (Beamline 11.0.2). As a complement to the time-domain ''pump-and-probe'' measurements, they developed a frequency-domain ''sine-excitation'' technique in order to study specific eigenmodes of these ferromagnetic patterns with high spatial resolution. This new approach was used to study the gyrotropic vortex motions in micron-sized ferromagnetic patterns. Adam Hitchcock (McMaster University) presented the development, in collaboration with Daniel Guay (INRS, Varennes) and Sherry Zhang, of the apparatus and techniques for applying STXM to in-situ studies of electrochemistry, in particular electrochromism in polyaniline. In addition, substantial progress was reported on a joint project to develop substrates and methods for chemically selective lithography of multilayer polymer systems. Selective patterns, such as that displayed in the figure, can now be written efficiently with the bend magnet STXM on Beamline 5.3.2. Yves Acremann (SSRL) discussed time and spatially resolved X-ray magnetic circular dichroism (XMCD) experiments on spin transfer devices at the STXM (Beamline 11.0.2). These elegant experiments explore time resolved measurements of the magnetization dynamics within a 100 x 150 nm sample influenced by a spin-polarized current. This experiment shows that the magnetization in these magnetic nanostructures are not uniform, as they are influenced by the Oersted field of the charge current needed to generate the spin current. The implementation of a novel multichannel photon counting system in combination with an avalanche photon detector decreased the data-acquisition time by a factor of 10, owing to its ability to resolve the structure of multi bunch mode. Gordon E. Brown, Jr. (Stanford University and SSRL) described ''Applications of STXM to Microbial Bioweathering and Biomineralization''. In the interaction of bacteria with ferrihydrite nanoparticles, microenvironments that were very different than the bulk material were observed, showing that bulk thermodynamics may not be useful for predicting micro phases. Gordon also presented work showing that iron nanoparticles are attracted to the negatively charged bacteria and form a coating that reduces iron oxide minerals. The afternoon session started with presentations by Simon Mun and Hendrik Bluhm, who discussed the current status and the future plans for the two APPES end-stations at the ALS, which are located at Beamlines 9.3.2 and 11.0.2, respectively. In both end-stations, samples can be measured in gaseous environments at pressures of up to several Torr, which makes possible the investigation of numerous phenomena, in particular in the fields of atmospheric and environmental science as well as heterogeneous catalysis. Specific examples of the application of APPES were shown in the following presentations. John Hemminger (University of California, Irvine) reported on APPES investigations at Beamlines 9.3.2 and 11.0.2 of the interaction of alkali halide surfaces with water. The m

Bluhm, Hendrik; Gilles, Mary K.; Mun, Simon B.; Tyliszczak, Tolek

2006-02-01T23:59:59.000Z

75

Cooling flows, central galaxy--cluster alignments, X-ray absorption and dust  

E-Print Network (OSTI)

We present the analysis of pointed ROSAT PSPC observations of five of the most luminous, intermediate redshift ($0.1 cooling flows. The alignment between CCGs and their host clusters has been investigated. For those clusters with cooling flows, the position angles of the X-ray emission from the clusters and the optical emission from the CCGs agrees within 5 degrees. For the one probable non-cooling flow cluster in the sample, Abell 2208, the alignment is significantly poorer. We examine the evidence for intrinsic X-ray absorption in the clusters. The X-ray spectra for Abell 1068 and Abell 1664 show that the cooling flows in these clusters are intrinsically absorbed by equivalent hydrogen column densities $\\geq 10^{21} atom cm$^{-2}$. The optical spectra of the CCGs in these clusters exhibit substantial intrinsic reddening, at levels consistent with the X-ray absorption results if standard dust to gas ratios are assumed.

S. W. Allen; A. C. Fabian; A. C. Edge; H. Bohringer; D. A. White

1995-03-28T23:59:59.000Z

76

Soft X-ray Spectroscopy Study of the Electronic Structure of Oxidized and Partially Oxidized Magnetite Nanoparticles  

SciTech Connect

The crystal structure of magnetite nanoparticles may be transformed to maghemite by complete oxidation, but under many relevant conditions the oxidation is partial, creating a mixed-valence material with structural and electronic properties that are poorly characterized. We used X-ray diffraction, Fe K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy, and soft X-ray absorption and emission spectroscopy to characterize the products of oxidizing uncoated and oleic acid-coated magnetite nanoparticles in air. The oxidization of uncoated magnetite nanoparticles creates a material that is structurally and electronically indistinguishable from maghemite. By contrast, while oxidized oleic acid-coated nanoparticles are also structurally indistinguishable from maghemite, Fe L-edge spectroscopy revealed the presence of interior reduced iron sites even after a 2-year period. We used X-ray emission spectroscopy at the O K-edge to study the valence bands (VB) of the iron oxide nanoparticles, using resonant excitation to remove the contributions from oxygen atoms in the ligands and from low-energy excitations that obscured the VB edge. The bonding in all nanoparticles was typical of maghemite, with no detectable VB states introduced by the long-lived, reduced-iron sites in the oleic acid-coated sample. However, O K-edge absorption spectroscopy observed a 0.2 eV shift in the position of the lowest unoccupied states in the coated sample, indicating an increase in the semiconductor band gap relative to bulk stoichiometric maghemite that was also observed by optical absorption spectroscopy. The results show that the ferrous iron sites within ferric iron oxide nanoparticles coated by an organic ligand can persist under ambient conditions with no evidence of a distinct interior phase and can exert an effect on the global electronic and optical properties of the material. This phenomenon resembles the band gap enlargement caused by electron accumulation in the conduction band of TiO2.

Gilbert, Benjamin; Katz, Jordan E.; Denlinger, Jonathan D.; Yin, Yadong; Falcone, Roger; Waychunas, Glenn A.

2010-10-24T23:59:59.000Z

77

The puzzle of the soft X-ray excess in AGN: absorption or reflection?  

E-Print Network (OSTI)

The 2-10 keV continuum of AGN is generally well represented by a single power law. However, at smaller energies the continuum displays an excess with respect to the extrapolation of this power law, called the ''soft X-ray excess''. Until now this soft X-ray excess was attributed, either to reflection of the hard X-ray source by the accretion disk, or to the presence of an additional comptonizing medium, giving a steep spectrum. An alternative solution proposed by Gierlinski and Done (2004) is that a single power law well represents both the soft and the hard X-ray emission and the impression of the soft X-ray excess is due to absorption of a primary power law by a relativistic wind. We examine the advantages and drawbacks of reflection versus absorption models, and we conclude that the observed spectra can be well modeled, either by absorption (for a strong excess), or by reflection (for a weak excess). However the physical conditions required by the absorption models do not seem very realistic: we would prefer an ''hybrid model''.

L. Chevallier; S. Collin; A. -M. Dumont; B. Czerny; M. Mouchet; A. C. Goncalves; R. W. Goosmann

2006-01-19T23:59:59.000Z

78

Electrochemical in-situ reaction cell for X-ray scattering, diffraction and spectroscopy  

DOE Green Energy (OSTI)

An electrochemical in-situ reaction cell for hard X-ray experiments with battery electrodes is described. Applications include the small angle scattering, diffraction, and near-edge spectroscopy of lithium manganese oxide electrodes.

Braun, Artur; Granlund, Eric; Cairns, Elton J.

2003-01-27T23:59:59.000Z

79

X-ray Absorption Due to Cold Gas in Cluster Cooling Cores  

E-Print Network (OSTI)

We have calculated the emergent X-ray properties for models of cluster cooling flows including the effects of accumulated cooled material. The opacity of this cooled gas can reduce the overall X-ray luminosity of the cooling flow, and values of Mdot based on these luminosities can underestimate the true value by factors of ~2. We find that accumulated cooled material can produce emergent surface brightness profiles much like those observed even for nearly homogeneous gas distributions. Consequently, much more of the gas may be cooling below X-ray emitting temperatures in the central regions of cooling flows (r cooling flows may have been underestimated. We show that distributed absorption in cooling flows produces a number of observable effects in the spectrum which may allow it to be differentiated from absorption due to gas in our Galaxy. Th...

Wise, M W; Wise, Michael W.; Sarazin, Craig L.

1999-01-01T23:59:59.000Z

80

X-ray absorption and magnetic circular dichroism studies of Co2FeAl in magnetic tunnel junctions  

SciTech Connect

The bulk magnetic moment and the element specific magnetic moment of Co{sub 2}FeAl thin films were examined as a function of annealing temperature by alternating gradient magnetometer (AGM) and X-ray absorption spectroscopy (XAS)/X-ray magnetic circular dichroism (XMCD), respectively. A high magnetic moment can be achieved for all annealing temperatures and the predicted bulk and interface magnetic moment of about 5 {tilde A}{sub B} are reached via heating. We will also present tunnel magnetoresistance (TMR) values of up to 153% at room temperature and 260% at 13 K for MgO based magnetic tunnel junctions (MTJs) with Co{sub 2}FeAl and Co-Fe electrodes.

Ebke, D.; Kugler, Z.; Thomas, P.; Schebaum, O.; Schafers, M.; Nissen, D.; Schmalhorst, J.; Hutten, A.; Arenholz, E.; Thomas, A.

2010-01-11T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
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81

A diamond anvil cell with resistive heating for high pressure and high temperature x-ray diffraction and absorption studies  

SciTech Connect

In this paper we describe a prototype of a diamond anvil cell (DAC) for high pressure/high temperature studies. This DAC combines the use of a resistive oven of 250 W power in a very small volume, associated with special conical seats for Boehler-type diamond anvils in order to have a large angular acceptance. To protect the diamond anvils from burning and to avoid the oven oxidation, the heated DAC is enclosed in a vacuum chamber. The assemblage was used to study the melting curve of germanium at high pressure (up to 20 GPa) and high temperature (up to 1200 K) using x-ray diffraction and x-ray absorption spectroscopy.

Pasternak, Sebastien; Aquilanti, Giuliana; Pascarelli, Sakura; Zhang Lin [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, 38043 Grenoble, Cedex (France); Poloni, Roberta [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, 38043 Grenoble, Cedex (France); Institut de Ciencia de Materials de Barcelona (CSIC), Campus de la UAB, E-08193 Bellaterra, Barcelona Spain (Spain); Canny, Bernard [IMPMC-CNRS UMR, 7590 Universite Paris VI, 140 rue de Lourmel, 75015 Paris (France); Coulet, Marie-Vanessa [IM2NP-UMR CNRS, 6242 Universite Paul Cezanne Campus de St Jerome, 13397 Marseille Cedex 20 (France)

2008-08-15T23:59:59.000Z

82

Quantification of rapid environmental redox processes with quick-scanning x-ray absorption  

E-Print Network (OSTI)

manganese oxide x-ray absorption near-edge structure kinetics In the environment, chemical reactions to determining chemical kinetic rate constants and reaction mechanisms, both of which are required to fully understand environmental chemical processes. Kinetic measurements with traditional techniques, such as batch

Sparks, Donald L.

83

Using in situ X-ray absorption spectroscopy to study the local structure and oxygen ion conduction mechanism in (La{sub 0.6}Sr{sub 0.4})(Co{sub 0.2}Fe{sub 0.8})O{sub 3-{delta}}  

SciTech Connect

To study the local structure and oxygen ion conduction mechanism in (La{sub 0.6}Sr{sub 0.4})(Co{sub 0.2}Fe{sub 0.8})O{sub 3-{delta}} (LSCF) as a function of the oxygen partial pressure (P(O{sub 2})), in situ the Co and Fe K-edge X-ray absorption spectroscopy (XAS) was measured at elevated temperatures of 900 and 1000 K. The reduction of the Co and Fe valence, i.e., the oxygen content (3-{delta}) in LSCF, followed the change of P(O{sub 2}) from 1 to 10{sup -4} atm during{approx}4000 s. The quantitative analysis of the X-ray absorption near edge structure (XANES) and the extended X-ray absorption fine structure (EXAFS) indicated that the Fe valence was higher than the Co valence at oxidative condition ({delta} Almost-Equal-To 0) in LSCF. Whereas the Co valence decreased more than the Fe valence after reduction of P(O{sub 2}) at both 900 and 1000 K. From the relaxation plots of the valence and the oxygen content (3-{delta}) for Co and Fe after changing P(O{sub 2}), we successfully determined D{sub chem} and E{sub a} of an oxygen ion migration around Co and Fe in LSCF. A structural model with and without oxygen vacancies and an oxygen ion conduction mechanism for LSCF are proposed based on these results. - Graphical abstract: A structural model with and without oxygen vacancies, and the oxygen ion conduction mechanism of LSCF were speculated. In other words, oxygen vacancies would form more preferentially around Co than Fe from the results of in situ XAS analysis during reduction, and oxygen ions needs to pass through at the vicinity of Fe from the results of D{sub chem} and E{sub a}. Highlights: Black-Right-Pointing-Pointer Study of the oxygen ion conduction mechanism in (La{sub 0.6}Sr{sub 0.4})(Co{sub 0.2}Fe{sub 0.8})O{sub 3-{delta}} (LSCF). Black-Right-Pointing-Pointer Using in situ X-ray absorption for study of valence and oxygen diffusion coefficient. Black-Right-Pointing-Pointer The oxygen vacancies should be preferentially localized around Co in LSCF. Black-Right-Pointing-Pointer The values of the dynamics parameters for Co and Fe are close to each other.

Itoh, Takanori, E-mail: tknitoh@seimichemical.co.jp [AGC SeimiChemical Co., Ltd., 3-2-10 Chigasaki, Chigasaki City, Kanagawa 253-8585 (Japan); Nakayama, Masanobu [Department of Materials Science and Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya-city, Aichi 466-8555 (Japan)

2012-08-15T23:59:59.000Z

84

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

Science Conference Proceedings (OSTI)

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 methanol oxidation were used to probe the chemical differences between sol-gel prepared and conventionally prepared metal oxides. Both V/MgO and V/SiO2 were studied. For both catalysts, similar product selectivities were noted for either preparation method, suggesting similar acid/base and redox properties for the catalysts. At lower weight loadings (butane oxidation to maleic anhydride. In this method vanadium (V) triisopropoxide was reacted with orthophosphoric acid in THF to form a gel. Drying this gel under air resulted in an intercalated VOPO4 compound, where solvent molecules were trapped between layers of the vanadium phosphate compound. Higher surface areas could be achieved by drying this gel at high pressure in an autoclave. The amount of solvent (THF) placed in the autoclave was important in this process. Low amounts of solvent led to a lower surface area, as the solvent evaporated before reaching the critical point and collapsed the gel's pores. In addition, vanadium reduction occurred in the autoclave due to reaction of isopropanol with the vanadium phosphate. Higher amounts of THF reduced the concentration of isopropanol, leading to less reduction. Surfaces areas in excess of 100 m2/g were achieved with this method, and the product was confirmed through XPS and IR to be VOHPO4*0.5H2O, the common precursor for industrial VPO catalysts. Furthermore, this product displayed a platelet morphology, which is desirable for butane oxidation. Further work showed that this material could be transformed to (VO)2P2O7 (the industrial catalyst for butane oxidation to maleic anhydride) by heating under nitrogen without losing much surface are

Hohn, Keith, L.

2006-01-09T23:59:59.000Z

85

Advanced experimental applications for x-ray transmission gratings spectroscopy using a novel grating fabrication method  

Science Conference Proceedings (OSTI)

A novel fabrication method for soft x-ray transmission grating and other optical elements is presented. The method uses focused-ion-beam technology to fabricate high-quality free standing grating bars on transmission electron microscopy grids. High quality transmission gratings are obtained with superb accuracy and versatility. Using these gratings and back-illuminated CCD camera, absolutely calibrated x-ray spectra can be acquired for soft x-ray source diagnostics in the 100-3000 eV spectral range. Double grating combinations of identical or different parameters are easily fabricated, allowing advanced one-shot application of transmission grating spectroscopy. These applications include spectroscopy with different spectral resolutions, bandwidths, dynamic ranges, and may serve for identification of high-order contribution, and spectral calibrations of various x-ray optical elements.

Hurvitz, G.; Ehrlich, Y.; Shpilman, Z.; Levy, I.; Fraenkel, M. [Plasma Physics Department, Applied Physics Division, Soreq NRC, Yavne (Israel); Strum, G. [Solid State Department, Applied Physics Division, Soreq NRC, Yavne (Israel)

2012-08-15T23:59:59.000Z

86

Application of soft x-ray appearance potential spectroscopy to light lanthanides, 4d transition metals, and insulators  

SciTech Connect

Evaporated films of La, Ce, Yb, Y, Ag--Mn(5 percent), KCl, MnF$sub 2$, CsCl and LaF$sub 3$ were studied using the soft x-ray appearance potential spectroscopy (SXAPS) technique. Studies were also made of bulk polycrystalline samples of Y, Zr, Nb, and Mo. The results are discussed in terms of existing SXAPS theories. Several similarities between soft x-ray absorption (SXA) data and the SXAPS results are discussed, and it is shown that the SXA data can aid in the interpretation of SXAPS spectra when using the well-known self-convolution model. In this approximation the absorption coefficient, $alpha$(E), is substituted for the density of states, N(E-E/sub c/) $Yields$ $alpha$(E). For more localized excitations, a convolution of $alpha$(E) with bremsstrahlung isochromat data, based on Wendin's two density of states formalism is used to predict SNAPS results. (auth)

Smith, R. J.

1975-10-01T23:59:59.000Z

87

X-ray Spectroscopy for Quality Control of Chemotherapy Drugs  

Science Conference Proceedings (OSTI)

We develop a method, employing Compton peak standardization and the use of matrix-matched spiked samples with Total Reflection X-ray Fluorescence (TXRF), for the determination of platinum plasma concentrations of patients undergoing chemotherapy with Pt-bearing drugs. Direct blood plasma analysis attains Pt detection limits of 70 ng/ml. Measurement results of prescribed drug doses are compared to achieved blood Pt concentrations indicating a lack of expected correlations. Direct analysis of Pt-containing infused drugs from a variety of suppliers indicates cases of abnormal concentrations which raises quality control issues. We demonstrate the potential usefulness of the method for pharmacokinetic studies or for routine optimization and quality control of Pt chemotherapy treatments.

Greaves, E. D.; Barros, H.; Bermudez, J.; Sajo-Bohus, L. [Universidad Simon Bolivar, Apartado 89000, Caracas 1080A (Venezuela); Angeli-Greaves, M. [Universidad Central de Venezuela, Apartado 90373 Caracas 1083A (Venezuela)

2007-10-26T23:59:59.000Z

88

X-ray absorption fine structure spectroscopic study of uranium nitrides  

Science Conference Proceedings (OSTI)

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).

Poineau, Frederic [University of Nevada, Las Vegas; Yeamans, Charles B. [University of California, Berkeley; Cerefice, Gary S. [University of Nevada, Las Vegas; Sattelberger, Alfred P [Argonne National Laboratory (ANL); Czerwinski, Ken R. [University of Nevada, Las Vegas

2012-01-01T23:59:59.000Z

89

X-ray spectroscopy of gamma-ray bursts: the path to the progenitor  

E-Print Network (OSTI)

Despite great observational and theoretical effort, the burst progenitor is still a mysterious object. It is generally accepted that one of the best ways to unveil its nature is the study of the properties of the close environment in which the explosion takes place. We discuss the potentiality and feasibility of time resolved X-ray spectroscopy, focusing on the prompt gamma-ray phase. We show that the study of absorption features (or continuum absorption) can reveal the radial structure of the close environment, unaccessible with different techniques. We discuss the detection of absorption in the prompt and afterglow spectra of several bursts, showing how these are consistent with gamma-ray bursts taking place in dense regions. In particular, we show that the radius and density of the surrounding cloud can be measured through the evolution of the column density in the prompt burst phase. The derived cloud properties are similar to those of the star forming cocoons and globules within molecular clouds. We conclude that the burst are likely associated with the final evolutionary stages of massive stars.

Davide Lazzati; Rosalba Perna; Gabriele Ghisellini

2002-01-17T23:59:59.000Z

90

X-ray Absorption Due to Cold Gas in Cluster Cooling Cores  

E-Print Network (OSTI)

We have calculated the emergent X-ray properties for models of cluster cooling flows including the effects of accumulated cooled material. The opacity of this cooled gas can reduce the overall X-ray luminosity of the cooling flow, and values of Mdot based on these luminosities can underestimate the true value by factors of ~2. We find that accumulated cooled material can produce emergent surface brightness profiles much like those observed even for nearly homogeneous gas distributions. Consequently, much more of the gas may be cooling below X-ray emitting temperatures in the central regions of cooling flows (r cooling flows may have been underestimated. We show that distributed absorption in cooling flows produces a number of observable effects in the spectrum which may allow it to be differentiated from absorption due to gas in our Galaxy. These include a characteristic suppression of the continuum below ~2 keV, absorption features such as a redshifted O K-edge, and diminished intensity of resonance emission lines. Spectra including the effects of intrinsic absorption are not well fit by foreground absorbing models. Attempting to fit such models to the spatially resolved spectra can lead to underestimates of the true absorbing column by factors of 3-20. Fits to integrated spectra of the entire cooling flow region can either underestimate or overestimate the mass of the absorbing gas depending on the specifics of the model. We discuss the potential detection of these effects with AXAF, XMM, and Astro-E.

Michael W. Wise; Craig L. Sarazin

1999-03-09T23:59:59.000Z

91

X-ray Absorption in Type II Quasars: Implications for the Equatorial Paradigm of Broad Absorption Line Quasars  

E-Print Network (OSTI)

In this article, the hydrogen column densities derived from X-ray observations of type II (hidden) quasars and broad absorption line quasars (BALQSOs) are compared. These column densities represent the amount of absorbing material between the X-ray source and the observer. A sample of type II QSOs with strong narrow emission lines, weak UV continuum and no broad emission lines that also have deep X-ray observations was collected from the literature for analysis. The standard model of equatorial BAL (broad absorption line) winds predicts that the column densities of this type II QSO sample should significantly exceed BALQSO column densities. Based on the existing published deep hard X-ray observations this does not seem to be true, the BALQSO absorption columns are anomalously large. Actually, the limited existing data indicate that BALQSOs have column densities which are larger than the type II QSO column densities at a statistically significant level. The implication to BAL outflows and the fundamental physical geometry of QSOs is discussed.

Brian Punsly

2006-05-01T23:59:59.000Z

92

Mode-Locked Multichromatic X-Rays in a Seeded Free-Electron Laser for Single-Shot X-Ray Spectroscopy  

SciTech Connect

We present the promise of generating gigawatt mode-locked multichromatic x rays in a seeded free-electron laser (FEL). We show that, by using a laser to imprint periodic modulation in electron beam phase space, a single-frequency coherent seed can be amplified and further translated to a mode-locked multichromatic output in an FEL. With this configuration the FEL output consists of a train of mode-locked ultrashort pulses which span a wide frequency gap with a series of equally spaced sharp lines. These gigawatt multichromatic x rays may potentially allow one to explore the structure and dynamics of a large number of atomic states simultaneously. The feasibility of generating mode-locked x rays ranging from carbon K edge ({approx}284 eV) to copper L{sub 3} edge ({approx}931 eV) is confirmed with numerical simulation using the realistic parameters of the linac coherent light source (LCLS) and LCLS-II. We anticipate that the mode-locked multichromatic x rays in FELs may open up new opportunities in x-ray spectroscopy (i.e. resonant inelastic x-ray scattering, time-resolved scattering and spectroscopy, etc.).

Xiang, Dao; Ding, Yuantao; Raubenheimer, Tor; Wu, Juhao; /SLAC

2012-05-10T23:59:59.000Z

93

High-Pressure Evolution of Fe2O3 Electronic Structure Revealed by X-ray Absorption  

SciTech Connect

We report the first high pressure measurement of the Fe K-edge in hematite (Fe{sub 2}O{sub 3}) by X-ray absorption spectroscopy in partial fluorescence yield geometry. The pressure-induced evolution of the electronic structure as Fe{sub 2}O{sub 3} transforms from a high-spin insulator to a low-spin metal is reflected in the x-ray absorption pre-edge. The crystal field splitting energy was found to increase monotonically with pressure up to 48 GPa, above which a series of phase transitions occur. Atomic multiplet, cluster diagonalization, and density-functional calculations were performed to simulate the pre-edge absorption spectra, showing good qualitative agreement with the measurements. The mechanism for the pressure-induced phase transitions of Fe{sub 2}O{sub 3} is discussed and it is shown that ligand hybridization significantly reduces the critical high-spin/low-spin gap pressure.

Kao, Chi-Chang

2011-08-12T23:59:59.000Z

94

Multidimensional X-Ray Spectroscopy of Valence and Core Excitations in Cysteine  

E-Print Network (OSTI)

Several nonlinear spectroscopy experiments which employ broadband x-ray pulses to probe the coupling between localized core and delocalized valence excitation are simulated for the amino acid cysteine at the K-edges of oxygen and nitrogen and the K and L-edges of sulfur. We focus on two dimensional (2D) and 3D signals generated by two- and three-pulse stimulated x-ray Raman spectroscopy (SXRS) with frequency-dispersed probe. We show how the four-pulse x-ray signals $\\boldsymbol{k}_\\mathrm{I}=-\\boldsymbol{k}_1+\\boldsymbol{k}_2+\\boldsymbol{k}_3$ and $\\boldsymbol{k}_\\mathrm{II}=\\boldsymbol{k}_1-\\boldsymbol{k}_2+\\boldsymbol{k}_3$ can give new 3D insight into the SXRS signals. The coupling between valence- and core-excited states can be visualized in three dimensional plots, revealing the origin of the polarizability that controls the simpler pump-probe SXRS signals.

Jason D. Biggs; Yu Zhang; Daniel Healion; Shaul Mukamel

2013-03-19T23:59:59.000Z

95

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

SciTech Connect

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.

Lezama-pacheco, Juan S [Los Alamos National Laboratory; Conradson, Steven D [Los Alamos National Laboratory; Clark, David L [Los Alamos National Laboratory

2008-01-01T23:59:59.000Z

96

Backstreaming of a perfluorinated polyether pump oilan x?ray photoelectron spectroscopy study  

Science Conference Proceedings (OSTI)

The backstreaming of a perfluorinated polyether mechanical pump oil was determined by using x?ray photoelectron spectroscopy to measure oil content on silicon wafer surfaces. Backstreaming test pressures ranged from 0.4 mTorr to 100 mTorr. Backstreaming was identified at most test pressures even though perfluorinated polyether pump oils have low vapor pressures. Overall

Robert Sherman; John Vossen

1990-01-01T23:59:59.000Z

97

Testing LaMgAl11O19 crystal for X-ray spectroscopy  

DOE Green Energy (OSTI)

We investigated the properties of the rare earth crystal LaMgAl{sub 11}O{sub 19} and its application to soft X-ray spectroscopy. Its relative reflectivity and half width rocking curve were measured to up to the reflection order of 28. In addition, a comparative measurement of the iron L-shell soft X-ray line emission was made on the EBIT-I Livermore electron beam ion trap by fielding the LaMgAl{sub 11}O{sub 19} crystal side by side with a rubidium hydrogen phthalate crystal in a flat crystal spectrometer. From these measurements, reflectivity and spectral resolving power were determined.

Chen, H; Beiersdorfer, P; Baronova, E; Kalashnikova, I; Stepanenko, M

2004-03-31T23:59:59.000Z

98

Two-dimensional stimulated resonance Raman spectroscopy of molecules with broadband x-ray pulses  

Science Conference Proceedings (OSTI)

Expressions for the two-dimensional stimulated x-ray Raman spectroscopy (2D-SXRS) signal obtained using attosecond x-ray pulses are derived. The 1D- and 2D-SXRS signals are calculated for trans-N-methyl acetamide (NMA) with broad bandwidth (181 as, 14.2 eV FWHM) pulses tuned to the oxygen and nitrogen K-edges. Crosspeaks in 2D signals reveal electronic Franck-Condon overlaps between valence orbitals and relaxed orbitals in the presence of the core-hole.

Biggs, Jason D.; Zhang Yu; Healion, Daniel; Mukamel, Shaul [Department of Chemistry, University of California, Irvine, California 92697-2025 (United States)

2012-05-07T23:59:59.000Z

99

Two-Dimensional Stimulated Resonance Raman Spectroscopy of Molecules with Broadband X-ray Pulses  

E-Print Network (OSTI)

Expressions for the two-dimensional Stimulated x-ray Raman Spectroscopy (2D-SXRS) signal obtained using attosecond x-ray pulses are derived. The 1D- and 2D-SXRS signals are calculated for trans-N-methyl acetamide (NMA) with broad bandwidth (FWHM ~14.2eV, 181 as) pulses tuned to the oxygen and nitrogen K-edges. Crosspeaks in 2D signals reveal electronic Franck-Condon overlaps between valence orbitals and relaxed orbitals in the presence of the core hole.

Jason D. Biggs; Yu Zhang; Daniel Healion; Shaul Mukamel

2012-04-26T23:59:59.000Z

100

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

SciTech Connect

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 methanol oxidation were used to probe the chemical differences between sol-gel prepared and conventionally prepared metal oxides. Both V/MgO and V/SiO2 were studied. For both catalysts, similar product selectivities were noted for either preparation method, suggesting similar acid/base and redox properties for the catalysts. At lower weight loadings (<5%), activity was also similar, but at higher weight loadings the sol-gel prepared catalysts were more active. This was attributed to the greater dispersion of vanadium on sol-gel prepared catalysts, and it was suggested that small vanadium oxide domains were more active in methanol oxidation than polymeric and bulk domains. A novel sol-gel method was developed for preparation of VPO catalysts, which are used industrially in butane oxidation to maleic anhydride. In this method vanadium (V) triisopropoxide was reacted with orthophosphoric acid in THF to form a gel. Drying this gel under air resulted in an intercalated VOPO4 compound, where solvent molecules were trapped between layers of the vanadium phosphate compound. Higher surface areas could be achieved by drying this gel at high pressure in an autoclave. The amount of solvent (THF) placed in the autoclave was important in this process. Low amounts of solvent led to a lower surface area, as the solvent evaporated before reaching the critical point and collapsed the gel's pores. In addition, vanadium reduction occurred in the autoclave due to reaction of isopropanol with the vanadium phosphate. Higher amounts of THF reduced the concentration of isopropanol, leading to less reduction. Surfaces areas in excess of 100 m2/g were achieved with this method, and the product was confirmed through XPS and IR to be VOHPO4*0.5H2O, the common precursor for industrial VPO catalysts. Furthermore, this product displayed a platelet morphology, which is desirable for butane oxidation. Further work showed that this material could be transformed to (VO)2P2O7 (the industrial catalyst for butane oxidation to maleic anhydride) by heating under nitrogen without losing much surface are

Hohn, Keith, L.

2006-01-09T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


101

Ultrahigh vacuum sample mount for x-ray photoelectron spectroscopy up to very high temperature (150-1400 K)  

SciTech Connect

Spectroscopic studies are rarely performed at very high temperature, especially when combined with light from a synchrotron source. Demanding conditions of maintaining ultrahigh vacuum (UHV) during heating, together with the typically brief access to beam time at multiuser synchrotron end stations, may contribute to some of the reasons for the difficulty of such experiments. Consequently, a large number of materials with interesting properties and industrial applications at high temperature remain unexplored. The authors describe here a simple portable sample mount assembly that can be easily utilized at a beamline, with potential utility for a variety of spectroscopic measurements requiring elevated temperatures and an UHV environment. In the specific application described here, the authors use a resistive cartridge heater interfaced with a standard manipulator previously designed for cooling by liquid nitrogen with an UHV chamber and a cylindrical mirror analyzer for x-ray photoemission spectroscopy (XPS) [also known as electron spectroscopy for chemical analysis (ESCA)] at the Synchrotron Radiation Center in Stoughton, WI. The heater cartridge required only modest power to reach target temperatures using an open-loop temperature control. Finally, the authors describe the measurements of XPS (ESCA) and total-electron yield x-ray absorption spectroscopy on nanopowders and on single crystals grown by them. They emphasize the simplicity of the setup, which they believe would be of interest to groups performing measurements at large facilities, where access and time are both limited.

Williamsen, Mark S.; Ray, Shishir K.; Zou Ying; Dudek, John A.; Sen, Somaditya; Bissen, Mark; Kretsch, Laura; Palkar, Vaijayanti R.; Onellion, Marshall F.; Guptasarma, Prasenjit [Department of Physics, University of Wisconsin-Milwaukee, 1900 E. Kenwood Blvd., Milwaukee, Wisconsin 53211 (United States); Synchrotron Radiation Center, 3731 Schneider Dr., Stoughton, Wisconsin 53589 (United States); Department of Electrical Engineering, Indian Institute of Technology Bombay, Mumbai 400076 (India); Department of Physics, University of Wisconsin--Madison, 1150 University Ave., Madison, Wisconsin 53706 (United States); Department of Physics, University of Wisconsin-Milwaukee, 1900 E. Kenwood Blvd., Milwaukee, Wisconsin 53211 (United States)

2011-05-15T23:59:59.000Z

102

Characterization of Gas Shales by X-ray Raman Spectroscopy | Stanford  

NLE Websites -- All DOE Office Websites (Extended Search)

Characterization of Gas Shales by X-ray Raman Spectroscopy Characterization of Gas Shales by X-ray Raman Spectroscopy Monday, May 14, 2012 - 3:30pm SSRL Conference Room 137-322 Drew Pomerantz, Schlumberger Unconventional hydrocarbon resources such as gas shale and oil-bearing shale have emerged recently as economically viable sources of energy, dramatically altering America's energy landscape. Despite their importance, the basic chemistry and physics of shales are not understood as well as conventional reservoirs. In particular, shales are unique in that they contain kerogen, a complex organic solid that controls factors such as the amount of hydrocarbon that can be produced from the reservoir and the rate at which the hydrocarbon is produced. The industry's current understanding of the chemical composition of kerogen is limited, preventing detailed

103

Characterization of Gas Shales by X-ray Raman Spectroscopy | Stanford  

NLE Websites -- All DOE Office Websites (Extended Search)

Characterization of Gas Shales by X-ray Raman Spectroscopy Characterization of Gas Shales by X-ray Raman Spectroscopy Thursday, February 23, 2012 - 10:30am SSRL Third Floor Conference Room 137-322 Drew Pomerantz, Schlumberger Unconventional hydrocarbon resources such as gas shale and oil-bearing shale have emerged recently as economically viable sources of energy, dramatically altering America's energy landscape. Despite their importance, the basic chemistry and physics of shales are not understood as well as conventional reservoirs. In particular, shales are unique in that they contain kerogen, a complex organic solid that controls factors such as the amount of hydrocarbon that can be produced from the reservoir and the rate at which the hydrocarbon is produced. The industry's current understanding of the chemical composition of kerogen is limited, preventing detailed

104

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

Science Conference Proceedings (OSTI)

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.

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

2012-07-23T23:59:59.000Z

105

Development of Thin-Window Silicon Drift Detector for X-ray Spectroscopy  

Science Conference Proceedings (OSTI)

A new set of thin-window silicon drift detectors composed of an array of hexagonal shaped detectors has been designed, constructed and tested for X-ray spectroscopy. Each individual ThinWinSDD has a thin entrance window on one side and a spiral shaped hexagonal cathode around a center anode on the other side. To produce the thin entrance window a 10 keV implantation of boron through a 500 A silicon dioxide was used. The implantation was followed by an annealing at 700 C for 30 min and a reactive ion etching step to ensure the removal of silicon dioxide from the smallest feature (5 mum). An aluminum layer is coated in the same vacuum system after back-sputtering. This step involves removing the native oxide that has formed on the top of the silicon substrate and then sputtering a 1100 A thick layer of aluminum onto the X-ray entrance window. The aluminum layer must be thick enough to block visible light, but thin enough to be transparent to soft X-rays down to 280 eV. We discuss first test results that include detector leakage current measurements and the response for multiple detectors exposed to the National Synchrotron Light Source's UV beam line U3C located at Brookhaven National Laboratory for X-ray energies as low as 280 eV.

Chen, W.; Carini, G.A.; De Geronimo, G.; Fried, J.; Gaskin, J.A.; Keister, J.W.; Li, Z.; Ramsey, B.D.; Rehak, P.; Siddons, D.P.

2009-10-01T23:59:59.000Z

106

A von Hamos x-ray spectrometer based on a segmented-type diffraction crystal for single-shot x-ray emission spectroscopy and time-resolved resonant inelastic x-ray scattering studies  

SciTech Connect

We report on the design and performance of a wavelength-dispersive type spectrometer based on the von Hamos geometry. The spectrometer is equipped with a segmented-type crystal for x-ray diffraction and provides an energy resolution in the order of 0.25 eV and 1 eV over an energy range of 8000 eV-9600 eV. The use of a segmented crystal results in a simple and straightforward crystal preparation that allows to preserve the spectrometer resolution and spectrometer efficiency. Application of the spectrometer for time-resolved resonant inelastic x-ray scattering and single-shot x-ray emission spectroscopy is demonstrated.

Szlachetko, J. [Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Institute of Physics, Jan Kochanowski University, 25-406 Kielce (Poland); Nachtegaal, M.; Boni, E. de; Willimann, M.; Safonova, O.; Sa, J.; Smolentsev, G.; Szlachetko, M.; Bergamaschi, A.; Schmitt, B.; David, C.; Luecke, A. [Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Bokhoven, J. A. van [Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Institute for Chemical and Bioengineering, ETH Zurich, 8093 Zuerich (Switzerland); Dousse, J.-Cl.; Hoszowska, J.; Kayser, Y. [Department of Physics, University of Fribourg, 1700 Fribourg (Switzerland); Jagodzinski, P. [University of Technology, Kielce (Poland)

2012-10-15T23:59:59.000Z

107

High-brightness beamline for X-ray spectroscopy at the Advanced Light Source  

SciTech Connect

Beamline 9.3.1 at the Advanced Light Source (ALS) is a windowless beamline, covering the 1-6 keV photon-energy range, designed to achieve the goals of high energy resolution, high flux, and high brightness at the sample. When completed later this year, it will be the first ALS monochromatic hard-x-ray beamline, and its brightness will be an order-of-magnitude higher than presently available in this energy range. In addition, it will provide flux and resolution comparable to any other beamline now in operation. To achieve these goals, two technical improvements, relative to existing x-ray beamlines, were incorporated. First, a somewhat novel optical design for x-rays, in which matched toroidal mirrors are positioned before and after the double-crystal monochromator, was adopted. This configuration allows for high resolution by passing a collimated beam through the monochromator, and for high brightness by focusing the ALS source on the sample with unit magnification. Second, a new ''Cowan type'' double-crystal monochromator based on the design used at NSLS beamline X-24A was developed. The measured mechanical precision of this new monochromator shows significant improvement over existing designs, without using positional feedback available with piezoelectric devices. Such precision is essential because of the high brightness of the radiation and the long distance (12m) from the source (sample) to the collimating (focusing) mirror. This combination of features will provide a bright, high resolution, and stable x-ray beam for use in the x-ray spectroscopy program at the ALS.

Perera, R.C.C.; Jones, G. [Lawrence Berkeley Lab., CA (US); Lindle, D.W. [Univ. of Nevada, Las Vegas, NV (US). Dept. of Chemistry

1994-08-01T23:59:59.000Z

108

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

DOE Green Energy (OSTI)

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.

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

2009-04-24T23:59:59.000Z

109

Stratified Quasar Winds: Integrating X-ray and Infrared Views of Broad Absorption Line Quasars  

E-Print Network (OSTI)

Quasars are notable for the luminous power they emit across decades in frequency from the far-infrared through hard X-rays; emission at different frequencies emerges from physical scales ranging from AUs to parsecs. Each wavelength regime thus offers a different line of sight into the central engine and a separate probe of outflowing material. Therefore, obtaining a complete accounting of the physical characteristics and kinetic power of quasar winds requires a panchromatic approach. X-ray and infrared studies are particularly powerful for covering the range of interesting physical scales and ionization states of the outflow. We present a stratified wind picture based on a synthesis of multiwavelength research programs designed to constrain the nature of mass ejection from radio-quiet quasars. This wind comprises three zones: the highly ionized shielding gas, the UV broad absorption line wind, and the cold dusty outflow. The primary launching mechanism for the wind likely varies in each zone. While radiative acceleration on resonance lines dominates for the UV absorbing wind, the shielding gas may instead be driven by magnetic forces. Ultraviolet continuum radiative pressure, perhaps coupled with magnetic launching, accelerates a dusty outflow that obscures the inner broad line region in unification schemes.

S. C. Gallagher; J. E. Everett

2007-01-04T23:59:59.000Z

110

Revisiting the total ion yield x-ray absorption spectra of liquid water microjets  

SciTech Connect

Measurements of the total ion yield (TIY) x-ray absorption spectrum (XAS) of liquid water by Wilson et al. (2002 J. Phys.: Condens. Matter 14 L221 and 2001 J. Phys. Chem. B 105 3346) have been revisited in light of new experimental and theoretical efforts by our group. Previously, the TIY spectrum was interpreted as a distinct measure of the electronic structure of the liquid water surface. However, our new results indicate that the previously obtained spectrum may have suffered from as yet unidentified experimental artifacts. Although computational results indicate that the liquid water surface should exhibit a TIY-XAS that is fundamentally distinguishable from the bulk liquid XAS, the new experimental results suggest that the observable TIY-XAS is actually nearly identical in appearance to the total electron yield (TEY-)XAS, which is a bulk probe. This surprising similarity between the observed TIY-XAS and TEY-XAS likely results from large contributions from x-ray induced electron stimulated desorption of ions, and does not necessarily indicate that the electronic structure of the bulk liquid and liquid surface are identical.

Saykally, Richard J; Cappa, Chris D.; Smith, Jared D.; Wilson, Kevin R.; Saykally, Richard J.

2008-02-16T23:59:59.000Z

111

Wiggler-base Hard X-ray Spectroscopy Beamline at CLS  

Science Conference Proceedings (OSTI)

The CLS 06ID-1 Hard X-ray Micro-Analysis Beamline (HXMA) is a general purpose hard X-ray spectroscopy beamline (5 to 40 keV) designed to serve users in XAFS, diffraction and microprobe communities. The beamline uses the synchrotron radiation from a superconducting wiggler. The primary beamline optics include a 1.2 m water-cooled silicon collimating mirror (separate Rh and Pt coating stripes), a liquid nitrogen cooled double crystal monochromator (Kohzu CMJ-1) housing two crystal pairs (Si 111 and 220), and a 1.15 m long water-cooled silicon toroidal focusing mirror (separate Rh and Pt coating stripes). All mirrors are equipped with dynamical meridian benders. The experimental hutch hosts three experimental setups for XAFS, diffraction and microprobe, respectively. Primary design considerations and some commissioning results are discussed.

Jiang, D. T. [Canadian Light Source, University of Saskatchewan, Saskatoon, SK (Canada); Department of Physics, University of Guelph, Guelph ON N1G 2W1 (Canada); Chen, N. [Canadian Light Source, University of Saskatchewan, Saskatoon, SK (Canada); Geological Sciences Department, University of Saskachewan, Saskatoon, SK (Canada); Sheng, W. [Canadian Light Source, University of Saskatchewan, Saskatoon, SK (Canada)

2007-01-19T23:59:59.000Z

112

Cryogenic detector development at LLNL: ultraviolet x-ray, gamma-ray and biomolecule spectroscopy  

SciTech Connect

We are developing low-temperature detectors for optical, ultraviolet, X-ray, and gamma-ray spectroscopy, and for biomolecular mass spectrometry. We present development work on these detectors and materials analysis and biomolecular mass spectrometry. We have measured thin-film Nb/Al/Al2O3/AlNb superconducting tunnel junction (STJ) X-ray detectors in the 0.2 to 1 keV band with a range of different junction sizes and aluminum film thicknesses. In one case, we have achieved the statistical limit to the energy resolution of 13 eV FWHM at 227 eV with an output count rate of 20,600 cts/s.

Labov, S.E.; Frank, M.; le Grand, J.B. [and others

1997-08-12T23:59:59.000Z

113

X-ray absorption signatures of the molecular environment in water and ice  

E-Print Network (OSTI)

The x-ray absorption spectra of water and ice are calculated with a many-body approach for electron-hole excitations. The experimental features, including the small effects of temperature change in the liquid, are quantitatively reproduced from molecular configurations generated by ab-initio molecular dynamics. The spectral difference between the solid and the liquid is due to two major short range order effects. One, due to breaking of hydrogen bonds, enhances the pre-edge intensity in the liquid. The other, due to a non-bonded molecular fraction in the first coordination shell, affects the main spectral edge in the conversion of ice to water. This effect may not involve hydrogen bond breaking as shown by experiment in high-density amorphous ice.

Wei Chen; Xifan Wu; Roberto Car

2009-09-21T23:59:59.000Z

114

Electronic Properties of Hydrogen Storage Materials with Photon-in/Photon-out Soft-X-Ray Spectroscopy  

DOE Green Energy (OSTI)

The applications of resonant soft X-ray emission spectroscopy on a variety of carbon systems have yielded characteristic fingerprints. With high-resolution monochromatized synchrotron radiation excitation, resonant inelastic X-ray scattering has emerged as a new source of information about electronic structure and excitation dynamics. Photon-in/photon-out soft-X-ray spectroscopy is used to study the electronic properties of fundamental materials, nanostructure, and complex hydrides and will offer potential in-depth understanding of chemisorption and/or physisorption mechanisms of hydrogen adsorption/desorption capacity and kinetics.

Guo, Jinghua

2008-09-22T23:59:59.000Z

115

Dynamics and rheology under continuous shear flow studied by X-ray photon correlation spectroscopy  

E-Print Network (OSTI)

X-ray Photon Correlation Spectroscopy (XPCS) has emerged as a unique technique allowing the measurement of dynamics in materials on mesoscopic lengthscales. In particular, applications in soft matter physics cover a broad range of topics which include, but are not limited to, nanostructured materials such as colloidal suspensions or polymers, dynamics at liquid surfaces, membranes and interfaces, and the glass or gel transition. One of the most common problems associated with the use of bright X-ray beams with soft materials is beam induced radiation damage, and this is likely to become an even more limiting factor at future synchrotron and free electron laser sources. Flowing the sample during data acquisition is one of the simplest method allowing to limit the radiation damage. In addition to distributing the dose over many different scatterers, the method also enables new functionalities such as time-resolved studies in mixing cells. Here, we further develop an experimental technique that was recently proposed combining XPCS and continuously flowing samples. More specifically, we use a model system to show how the macroscopic advective response to flow and the microscopic dissipative dynamics (diffusion) can be quantified from the X-ray data. The method has many potential applications, e.g. dynamics of glasses and gels under continuous shear/flow, protein aggregations processes, the interplay between dynamics and rheology in complex fluids.

Andrei Fluerasu; Pawel Kwasniewski; Chiara Caronna; Fanny Destremaut; Jean-Baptiste Salmon; Anders Madsen

2010-01-10T23:59:59.000Z

116

The role of absorption and reflection in the soft X-ray excess of Active Galactic Nuclei : 1. Preliminary results  

E-Print Network (OSTI)

The 2-10 keV continuum of AGN is well represented by a single power law, generally attributed to a hot comptonizing medium, such as a corona above the accretion disk. At smaller energies the continuum displays an excess with respect to the extrapolation of this power law, called the ``soft X-ray excess". Until now it was attributed, either to reflection of the hard X-ray source by the accretion disk, or to the presence of an additional comptonizing medium. An alternative solution proposed by Gierli\\'nski & Done (2004) is that a single power law represents correctly both the soft and the hard X-ray emission, and the soft X-ray excess is an artefact due to the absorption of the primary power law by a relativistic wind. We examine the advantages and drawbacks of the reflection versus absorption models. We argue that in the absorption hypothesis, the absorbing medium should be in total pressure equilibrium, to constrain the spectral distribution which otherwise would be too strongly variable in time and from one object to the other, as compared to observations. We conclude that some X-ray spectra, in particular those with strong soft X-ray excesses, can be modelled by absorption in the 0.3-10 keV range. However, due to the lack of a complete grid of models and good data extending above 10 keV, we are not able to conclude presently that all objects can be accommodated with such models. These absorption models imply either strong relativistic outflowing winds with mass rates of the order of the Eddington value (or even larger), or quasi-spherical inhomogeneous accretion flows. Only weak excesses can be modelled by reflection, unless the primary continuum is not directly seen. Finally, a reflection model absorbed by a modest relativistic wind could be the best solution to the problem.

Loc Chevallier; Suzy Collin; Anne-Marie Dumont; Bozena Czerny; Martine Mouchet; Anabela C. Gonalves; Ren Goosmann

2005-10-24T23:59:59.000Z

117

Oxidation of stepped Pt(111) studied by x-ray photoelectron spectroscopy and density functional theory  

SciTech Connect

In this comparative density functional theory and x-ray photoelectron spectroscopy study on the interaction of oxygen with stepped Pt(111) surfaces, we show that both the initial adsorption and oxidation occur at the steps rather than terraces. An equivalent behavior was observed for the oxide formation at higher chemical potentials, where, after the formation of a one-dimensional PtO{sub 2}-type oxide at the steps, similar oxide chains form on the (111) terraces, indicating the initial stages of bulk oxide formation.

Bandlow, Jochen; Kaghazchi, Payam; Jacob, Timo [Institut fuer Elektrochemie, Universitaet Ulm, Albert-Einstein-Allee 47, D-89069 Ulm (Germany); Papp, C.; Traenkenschuh, B.; Streber, R.; Lorenz, M. P. A.; Fuhrmann, T.; Steinrueck, H.-P. [Lehrstuhl fuer Physikalische Chemie II, Universitaet Erlangen-Nuernberg, Egerlandstr. 3, D-91058 Erlangen (Germany); Denecke, R. [Wilhelm-Ostwald-Institut fuer Physikalische und Theoretische Chemie, Universitaet Leipzig, Linnestr. 2, D-04103 Leipzig (Germany)

2011-05-01T23:59:59.000Z

118

FPGA-based compression of streaming x-ray photon correlation spectroscopy data  

Science Conference Proceedings (OSTI)

A data acquisition system to perform real-time background subtraction and lower-level-discrimination-based compression of streaming x-ray photon correlation spectroscopy (XPCS) data from a fast charge-coupled device (CCD) area detector has been built and put into service at the Advanced Photon source (APS) at Argonne National Laboratory. A commercial frame grabber with on-board field-programmable gate array (FPGA) was used in the design, and continuously processes 60 frames per second each consisting of 1,024 x 1,024 pixels with up to 64512 photon hits per frame.

Madden, Timothy; Jemian, Peter; Narayanan, Surcsh; Sandy, Alec; Sikorski, Marcin; Sprung, Michael; Weizeorick, John

2011-08-09T23:59:59.000Z

119

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

SciTech Connect

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 as the absence of dust, metal or hydrogen absorption features in the optical-UV spectra.

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)

2013-05-01T23:59:59.000Z

120

Amorphisation mechanism of a flint aggregate during the alkali-silica reaction: X-ray diffraction and X-ray absorption XANES contributions  

Science Conference Proceedings (OSTI)

Flint samples at different stages of the Alkali-Silica Reaction were prepared and analyzed by X-ray diffraction (XRD) and silicon K-edge X-ray absorption near edge structure techniques (XANES). The results are compared to those of measurements performed on alpha quartz c-SiO{sub 2} and rough flint aggregate. The molar fraction of Q{sub 3} sites is determined as a function of the time of reaction. Up to 14 h of attack, the effect of the reaction seems of little importance. From 30 to 168 h, we showed an acceleration of the effect of the reaction on the crystal structure of the aggregate resulting in an amorphisation of the crystal. During this period, the amorphous fraction increases linearly with the number of Q{sub 3} sites. The results of the XANES confirm the amorphisation of the aggregate during the reaction and show the presence of silicon in a tetrahedral environment of oxygen whatever the time of attack.

Verstraete, J.; Khouchaf, L.; Bulteel, D.; Garcia-Diaz, E.; Flank, A.M; Tuilier, M.H

2004-04-01T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


121

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

SciTech Connect

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

Visser, Hendrik

2001-05-16T23:59:59.000Z

122

Particle Formation from Pulsed Laser Irradiation of SootAggregates studied with scanning mobility particle sizer, transmissionelectron microscope and near-edge x-ray absorption fine structure.  

Science Conference Proceedings (OSTI)

We investigated the physical and chemical changes induced in soot aggregates exposed to laser radiation using a scanning mobility particle sizer, a transmission electron microscope, and a scanning transmission x-ray microscope to perform near-edge x-ray absorption fine structure spectroscopy. Laser-induced nanoparticle production was observed at fluences above 0.12 J/cm(2) at 532 nm and 0.22 J/cm(2) at 1064 nm. Our results indicate that new particle formation proceeds via (1) vaporization of small carbon clusters by thermal or photolytic mechanisms, followed by homogeneous nucleation, (2) heterogeneous nucleation of vaporized carbon clusters onto material ablated from primary particles, or (3) both processes.

Michelsen, Hope A.; Tivanski, Alexei V.; Gilles, Mary K.; vanPoppel, Laura H.; Dansson, Mark A.; Buseck, Peter R.; Buseck, Peter R.

2007-02-20T23:59:59.000Z

123

X-ray photoelectron spectroscopy characterization of the {omega} phase in water quenched Ti-5553 alloy  

SciTech Connect

X-ray photoelectron spectroscopy was used to investigate the {omega} phase in water quenched Ti-5553 alloy with a nominal composition of Ti-5Al-5V-5Mo-3Cr (wt.%), and the {omega} and the {beta} phase were distinguished by deconvoluting the XPS spectra of Al2p, V2p and Cr2p core level regions. In addition, it is found that the binding energy of core level electron of alloying elements shifts comparing with that of pure metals, and the fact was interpreted by charge redistribution model. X-ray photoelectron spectroscopy technique could be used to characterize the nano-scale {omega} phase in {beta} alloys. - Highlights: Black-Right-Pointing-Pointer We characterize the {omega} phase in Ti-5553 alloy by XPS. Black-Right-Pointing-Pointer Binding energy of Al2p, V2p and Cr2p electron are different in the {omega} and {beta} phase. Black-Right-Pointing-Pointer Structural difference leads to the binding energy gap.

Qin, Dongyang, E-mail: qindongyang19831205@126.com [State Key Laboratory for Mechanical Behavior of Materials, Xian Jiaotong University, Xi'an 710049 (China) [State Key Laboratory for Mechanical Behavior of Materials, Xian Jiaotong University, Xi'an 710049 (China); Northwest Institute for Non-ferrous Metal Research, Xi'an 710016 (China); Lu, Yafeng [Northwest Institute for Non-ferrous Metal Research, Xi'an 710016 (China)] [Northwest Institute for Non-ferrous Metal Research, Xi'an 710016 (China); Zhang, Kong; Liu, Qian [The State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China)] [The State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Zhou, Lian [Northwest Institute for Non-ferrous Metal Research, Xi'an 710016 (China)] [Northwest Institute for Non-ferrous Metal Research, Xi'an 710016 (China)

2012-11-15T23:59:59.000Z

124

Growth and structure of water on SiO2 films on Si investigated byKelvin probe microscopy and in situ X-ray Spectroscopies  

SciTech Connect

The growth of water on thin SiO{sub 2} films on Si wafers at vapor pressures between 1.5 and 4 torr and temperatures between -10 and 21 C has been studied in situ using Kelvin Probe Microscopy and X-ray photoemission and absorption spectroscopies. From 0 to 75% relative humidity (RH) water adsorbs forming a uniform film 4-5 layers thick. The surface potential increases in that RH range by about 400 mV and remains constant upon further increase of the RH. Above 75% RH the water film grows rapidly, reaching 6-7 monolayers at around 90% RH and forming a macroscopic drop near 100%. The O K-edge near-edge X-ray absorption spectrum around 75% RH is similar to that of liquid water (imperfect H-bonding coordination) at temperatures above 0 C and ice-like below 0 C.

Verdaguer, A.; Weis, C.; Oncins, G.; Ketteler, G.; Bluhm, H.; Salmeron, M.

2007-06-14T23:59:59.000Z

125

X-ray And EUV Spectroscopy Of Highly Charged Tungsten Ions  

SciTech Connect

The Berlin EBIT has been established by the Max-Planck-Institut fuer Plasmaphysik to generate atomic physics data in support of research in the field of controlled nuclear fusion, by measuring the radiation from highly charged ions in the x-ray, extreme ultraviolet and visible spectral ranges and providing valuable diagnostics for high temperature plasmas. In future fusion devices, for example ITER, currently being constructed at Cadarache, France, the plasma facing components will be armored with high-Z materials, most likely tungsten, due to the favorable properties of this element. At the same time the tremendous radiation cooling of these high-Z materials represents a threat to fusion and obliges one to monitor carefully the radiation. With EBIT a selected ensemble of ions in specific charge states can be produced, stored and excited for spectroscopic investigations. Employing this technique, we have for example resolved the wide structure observed around 5 nm at the ASDEX Upgrade tokamak as originating from E1-transitions into the open 4d shell of tungsten ions in charge states 25+ to 37+ producing a band-like emission pattern. Further, these ions emit well-separated M1 lines in the EUV range around 65 nm suitable for plasma diagnostics. Kr-like to Cr-like tungsten ions (38+ to 50+) show strong soft-x-ray lines in the range 0.5 to 2 and 5 to 15 nm. Lines of even higher charged tungsten ions, up to Ne-like W{sup 64+}, abundant in the core plasma of present and future fusion test devices, have been investigated with high resolution Bragg-crystal spectroscopy at 0.13 nm. Recently, x-ray spectroscopic measurements of the dielectronic recombination LMn resonances of W{sup 60+} to W{sup 67+} ions have been preformed and compare well with atomic structure calculations.

Biedermann, Christoph; Radtke, Rainer [Max-Planck-Institut fuer Plasmaphysik, EURATOM Association, 17491 Greifswald, and Institut fuer Physik der Humboldt-Universitaet zu Berlin, Arbeitsgruppe Plasmaphysik, Newtonstr 15, 12489 Berlin (Germany)

2009-09-10T23:59:59.000Z

126

Synchrotron x-ray sources and new opportunities in the soil and environmental sciences  

Science Conference Proceedings (OSTI)

This report contains the following papers: characteristics of the advanced photon source and comparison with existing synchrotron facilities; x-ray absorption spectroscopy: EXAFS and XANES -- A versatile tool to study the atomic and electronic structure of materials; applications of x-ray spectroscopy and anomalous scattering experiments in the soil and environmental sciences; X-ray fluorescence microprobe and microtomography.

Schulze, D. (Purdue Univ., Lafayette, IN (USA)); Anderson, S. (Michigan State Univ., East Lansing, MI (USA)); Mattigod, S. (Pacific Northwest Lab., Richland, WA (USA))

1990-07-01T23:59:59.000Z

127

High resolution scanning tunnelling microscopy and extended x-ray-absorption fine structure study of the (533) silicide structure on Cu(001)  

E-Print Network (OSTI)

Using low energy electron diffraction (LEED), scanning tunnelling microscopy (STM) and x-ray absorption spectroscopy (XAS) techniques, we have studied the first steps of silicon adsorption onto Cu (001) single crystal substrate. For low coverage (~ 0.5 ML) and after annealing at 100{\\deg}C, STM images and LEED patterns reveal the formation of an ordered quasi commensurate superstructure. From a quantitative analysis of XAS data, we extract the Si-Cu distance and detail the local atomic arrangement of the structure.

B. Lalmi; M. Chorro; R. Belkhou

2013-08-09T23:59:59.000Z

128

Versatile plug flow catalytic cell for in situ transmission/fluorescence x-ray absorption fine structure measurements  

SciTech Connect

A novel flow-through catalytic cell has been developed for in situ x-ray absorption spectroscopy (XAS) experiments on heterogeneous catalysts under working conditions and in the presence of a liquid and a gas phase. The apparatus allows to carry out XAS measurements in both the transmission and fluorescence modes, at moderate temperature (from RT to 50-80 Degree-Sign C) and low-medium gas pressure (up to 7-8 bars). The materials employed are compatible with several chemicals such as those involved in the direct synthesis of hydrogen peroxide (O{sub 2}, H{sub 2}, H{sub 2}O{sub 2}, methanol). The versatile design of the cell allows to fit it to different experimental setups in synchrotron radiation beamlines. It was used successfully for the first time to test nanostructured Pd catalysts during the direct synthesis of hydrogen peroxide (H{sub 2}O{sub 2}) in methanol solution from dihydrogen and dioxygen.

Centomo, P.; Zecca, M. [Dipartimento di Scienze Chimiche, via Marzolo 1, Universita degli Studi di Padova, 35131 Padova (Italy); Meneghini, C. [Dipartimento di Scienze, via della Vasca Navale 84, Universita di Roma TRE, 00146 Roma (Italy)

2013-05-15T23:59:59.000Z

129

Complex Absorption and Reflection of a Multi-temperature Cyclotron-Bremsstrahlung X-ray Cooling Shock in BY Cam  

E-Print Network (OSTI)

We re-analyse the ASCA and GINGA X-ray data from BY Cam, a slightly asynchronous magnetic accreting white dwarf. The spectra are strongly affected by complex absorption, which we model as a continuous (power law) distribution of covering fraction and column of neutral material. This absorption causes a smooth hardening of the spectrum below 3 keV, and is probably produced by material in the preshock column which overlies the X-ray emission region. The ASCA data show that the intrinsic emission from the shock is not consistent with a single temperature plasma. Significant iron L emission co-existing with iron K shell lines from H and He-like iron clearly shows that there is a wide range of temperatures present, as expected from a cooling shock structure. The GINGA data give the best constraints on the maximum temperature emission in the shocked plasma, with kT(max)=21(+18,-4) keV. Cyclotron cooling should also be important, which supresses the highest temperature bremsstrahlung components, so the X-ray data only give a lower limit on the mass of the white dwarf of M> 0.5 solar masses. Reflection of the multi-temperature bremsstrahlung emission from the white dwarf surface is also significantly detected. We stress the importance of modelling ALL these effects in order to gain a physically self-consistent picture of the X-ray spectra from polars in general and BY Cam in particular.

C. Done; P. Magdziarz

1997-12-17T23:59:59.000Z

130

Ultrafast X-Ray Spectroscopy as a Probe of Nonequilibrium Dynamics in  

NLE Websites -- All DOE Office Websites (Extended Search)

The Electronic Origin of Photoinduced Strain The Electronic Origin of Photoinduced Strain Modifying Proteins to Combat Disease Higher Temperature at the Earth's Core Clues about Rheumatoid Arthritis Damage Science Highlights Archives: 2013 | 2012 | 2011 | 2010 2009 | 2008 | 2007 | 2006 2005 | 2004 | 2003 | 2002 2001 | 2000 | 1998 | Subscribe to APS Science Highlights rss feed Ultrafast X-Ray Spectroscopy as a Probe of Nonequilibrium Dynamics in Ruthenium Complexes FEBRUARY 8, 2013 Bookmark and Share Copyright © 2012 Elsevier B.V. All rights reserved. Exciting the atoms or molecules of a substance via the use of visible light, or photoexcitation, can play a significant role in a range of energy-conversion processes, such as natural photosynthesis (oxygen from water) and manmade solar cells (electricity from sunlight). But a better

131

Atomic physics studies of highly charged ions on tokamaks using x-ray spectroscopy  

SciTech Connect

An overview is given of atomic physics issues which have been studied on tokamaks with the help resolution x-ray spectroscopy. The issues include the testing of model calculations predicting the excitation of line radiation, the determination of rate coefficients, and accurate atomic structure measurements. Recent research has focussed primarily on highly charged heliumlike (22 less than or equal to Z less than or equal to 28) and neonlike (34 less than or equal to Z less than or equal to 63) ions, and results are presented from measurements on the PLT and TFTR tokamaks. Many of the measurements have been aided by improved instrumental design and new measuring techniques. Remarkable agreement has been found between measurements and theory in most cases. However, in this review those areas are stressed where agreement is worst and where further investigations are needed. 19 refs., 13 figs., 2 tabs.

Beiersdorfer, P.; von Goeler, S.; Bitter, M.; Hill, K.W.

1989-07-01T23:59:59.000Z

132

In situ X-ray photoelectron spectroscopy of model catalysts: At the edge of the gap  

E-Print Network (OSTI)

We present a High-Pressure X-ray Photoelectron Spectroscopy (HP-XPS) and first-principles kinetic Monte Carlo study addressing the nature of the active surface in CO oxidation over Pd(100). Simultaneously measuring the chemical composition at the surface and in the near-surface gas-phase, we reveal both O-covered pristine Pd(100) and a surface oxide as stable, highly active phases in the near-ambient regime accessible to HP-XPS. Surprisingly, no adsorbed CO can be detected during high CO2 production rates, which can be explained by a combination of a remarkably short residence time of the CO molecule on the surface and mass-transfer limitations in the present set-up.

Blomberg, S; Gustafson, J; Martin, N M; Fernandes, V R; Borg, A; Liu, Z; Chang, R; Matera, S; Reuter, K; Lundgren, E

2013-01-01T23:59:59.000Z

133

Dynamical Core-Hole Screening in the X-Ray Absorption Spectra of Hydrogenated Carbon Nanotubes And Graphene  

Science Conference Proceedings (OSTI)

We have calculated the electronic structure and the x-ray absorption (XA) spectrum of a hydrogenated single graphite plane, in order to simulate recent experimental results on hydrogenated single wall carbon nanotubes (SWCNT) as well as hydrogenated graphene. We find that the presence of H induces a substantial component of sp{sup 3} bonding and as a result the {pi} and {pi}* components to the electronic structure vanish. We have calculated a theoretical x-ray absorption spectrum using a multiband version of the Mahan-Nozieres-De Dominicis theory. By making a fitting of the XA signal of C atoms that have H attached to them and C atoms without H in the vicinity we obtain a good representation of the experimental data and we can draw the conclusion that in the experiments [A. Nikitin et al., Phys. Rev. Lett. 95, 225507 (2005)] some 35-50 % H have been absorbed in the SWCNT.

Wessely, O.; /Uppsala U. /Imperial Coll., London; Katsnelson, M.I.; /Nijmegen U.; Nilsson, A.; /SLAC, SSRL /Stockholm U.; Nikitin, A.; Ogasawara, H.; /SLAC, SSRL; Odelius, M.; /Stockholm U.; Sanyal, B.; Eriksson, O.; /Uppsala U.

2009-04-30T23:59:59.000Z

134

FUSE Observations of Interstellar and Intergalactic Absorption Toward the X-ray Bright BL Lac Object Mrk 421  

E-Print Network (OSTI)

High-quality Far-Ultraviolet Spectroscopic Explorer (FUSE) observations at 20 km /s resolution of interstellar and intergalactic absorption from 910 to 1187 A are presented for the X-ray bright BL Lac object Mrk 421. In this study we consider the O VI absorption between -140 to 165 km /s and its relationship to the lower ionization absorption and to the strong absorption produced by O VII and O VIII at X-ray wavelengths. The O VI absorption extending from -140 to 60 km /s is associated with strong low ionization gas absorption and originates in the Galactic thick disk / halo. This O VI appears to be produced by a combination of processes, including conductive interfaces between warm and hot gas and possibly cooling Galactic Fountain gas and hot halo gas bubbles. The O VI absorption extending from 60 to 165 km /s has unusual ionization properties in that there is very little associated low ionization absorption, with the exception of C III. This absorption is not observed toward two foreground halo stars, implying that it occurs in gas more distant than 3.5 kpc from the Galactic disk. Over the 60 to 165 km/s velocity range, O VI and C III absorption have the same kinematic behavior. N(O VI)/N(C III) = 10+/-3 over the 60 to 120 km/s velocity range. Given the association of O VI with C III, it is unlikely that the high velocity O VI co-exists with the hotter gas responsible for the O VII and O VIII absorption. The O VI positive velocity absorption wing might be tracing cooler gas entrained in a hot Galactic Fountain outflow. The O VII and O VIII absorption observed by Chandra and XMM-Newton may trace the hot gas in a highly extended (~100 kpc) Galactic corona or hot gas in the Local Group.

B. D. Savage; B. P. Wakker; A. J. Fox; K. R. Sembach

2004-12-15T23:59:59.000Z

135

RHESSI MICROFLARE STATISTICS. II. X-RAY IMAGING, SPECTROSCOPY, AND ENERGY DISTRIBUTIONS I. G. Hannah, S. Christe,1  

E-Print Network (OSTI)

RHESSI MICROFLARE STATISTICS. II. X-RAY IMAGING, SPECTROSCOPY, AND ENERGY DISTRIBUTIONS I. G distribution of RHESSI flares and compare it to previous thermal energy distributions of transient events. We flares down to nanoflares. The fre- quency distribution of the energy in these events has been studied

California at Berkeley, University of

136

Molecular simulation analysis and X-ray absorption measurement of Ca2+, K+, and Cl- ions in solution  

DOE Green Energy (OSTI)

Recent advances in the use of molecular simulations and Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy to understand solvated ions in aqueous solutions are described. We report and discuss the results of the EXAFS spectra, Debye-Waller factors and the related properties governing solvation processes of different ions in water, as well as in different solvents (methanol). Molecular dynamics (MD) trajectories are coupled to electron scattering simulations to generate the EXAFS spectra, which are found to be in very good agreement with the corresponding experimental measurements. From these spectra, both the ion-oxygen and the ion-hydrogen distances for the first hydration shell are predicted to be within 0.1-0.2 . The ionic species studied range from monovalent to divalent, positive and negative: K+, Ca2+ and Cl-. This work demonstrates that the combination of MD-EXAFS and the corresponding experiment measurement provides a powerful tool in the analysis of the solvation structure of aqueous ionic solutions. We also investigate the value of electronic structure analysis of small aqueous clusters as a benchmark to the empirical potentials. In a novel computational approach, we compute the Debye-Waller factors combining a harmonic analysis of data obtained from electronic structure calculations on finite ionwater clusters, and we present a direct comparison with results from a harmonic classical statistical mechanical analysis of an empirical potential. Work was supported by the Office of Science, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy (DOE). The Pacific Northwest National Laboratory is operated by Battelle for DOE.

Dang, Liem X.; Schenter, Gregory K.; Glezakou, Vanda A.; Fulton, John L.

2006-11-30T23:59:59.000Z

137

Complex Absorption and Reflection of a Multi-temperature Cyclotron-Bremsstrahlung X-ray Cooling Shock in BY Cam  

E-Print Network (OSTI)

We re-analyse the ASCA and GINGA X-ray data from BY Cam, a slightly asynchronous magnetic accreting white dwarf. The spectra are strongly affected by complex absorption, which we model as a continuous (power law) distribution of covering fraction and column of neutral material. This absorption causes a smooth hardening of the spectrum below 3 keV, and is probably produced by material in the preshock column which overlies the X-ray emission region. The ASCA data show that the intrinsic emission from the shock is not consistent with a single temperature plasma. Significant iron L emission co-existing with iron K shell lines from H and He-like iron clearly shows that there is a wide range of temperatures present, as expected from a cooling shock structure. The GINGA data give the best constraints on the maximum temperature emission in the shocked plasma, with kT(max)=21(+18,-4) keV. Cyclotron cooling should also be important, which supresses the highest temperature bremsstrahlung components, so the X-ray data on...

Done, C

1997-01-01T23:59:59.000Z

138

Nuclear resonant X-ray spectroscopy of (Mg,Fe)SiO3 orthoenstatites JENNIFER M. JACKSON1,*, EMILY A. HAMECHER1  

E-Print Network (OSTI)

Nuclear resonant X-ray spectroscopy of (Mg,Fe)SiO3 orthoenstatites JENNIFER M. JACKSON1,*, EMILY A, 9700 S. Cass Ave., Argonne, IL 60439, USA Abstract: We present nuclear resonant inelastic X-ray scattering (NRIXS) and synchrotron Mo¨ssbauer spectroscopy (SMS) measurements, both nuclear resonant X

Jackson, Jennifer M.

139

CHARACTERIZATION OF THE LOCAL TITANIUM ENVIRONMENT IN DOPED SODIUM ALUMINUM HYDRIDE USING X-RAY ADSORPTION SPECTROSCOPY.  

DOE Green Energy (OSTI)

Ti K-edge x-ray absorption spectroscopy was used to explore the local titanium environment and valence in 2-4 mol% Ti-doped sodium alanate. An estimate of the oxidation state of the dopant, based upon known standards, revealed a zero-valent titanium atom. An analysis of the near-edge and extended fine structures indicates that the Ti does not enter substitutional or interstitial sites in the NaAlH{sub 4} lattice. Rather, the Ti is located on/near the surface and is coordinated by 10.2 {+-} 1 aluminum atoms with an interatomic distance of 2.82 {+-} 0.01 {angstrom}, similar to that of TiAl{sub 3}. The Fourier transformed EXAFS spectra reveals a lack of long-range order around the Ti dopant indicating that the Ti forms nano-clusters of TiAl{sub 3}. The similarity of the spectra in the hydrided and dehydrided samples suggests that the local Ti environment is nearly invariant during hydrogen cycling.

GRAETZ, J.; IGNATOV, A. YU; TYSON, T.A.; REILLY, J.J.; JOHNSON, J.

2004-11-30T23:59:59.000Z

140

General Method for Determination of the Surface Composition in Bimetallic Nanoparticle Catalysts from the L Edge X-ray Absorption Near-Edge Spectra  

SciTech Connect

Bimetallic PtPd on silica nano-particle catalysts have been synthesized and their average structure determined by Pt L3 and Pd K-edge extended X-ray absorption finestructure (EXAFS) spectroscopy. The bimetallic structure is confirmed from elemental line scans by STEM for the individual 1-2 nm sized particles. A general method is described to determine the surface composition in bimetallic nanoparticles even when both metals adsorb, for example, CO. By measuring the change in the L3 X-ray absorption near-edge structure (XANES) spectra with and without CO in bimetallic particles and comparing these changes to those in monometallic particles of known size the fraction of surface atoms can be determined. The turnover rates (TOR) and neopentane hydrogenolysis and isomerization selectivities based on the surface composition suggest that the catalytic and spectroscopic properties are different from those in monometallic nano-particle catalysts. At the same neo-pentane conversion, the isomerization selectivity is higher for the PtPd catalyst while the TOR is lower than that of both Pt and Pd. As with the catalytic performance, the infrared spectra of adsorbed CO are not a linear combination of the spectra on monometallic catalysts. Density functional theory calculations indicate that the Pt-CO adsorption enthalpy increases while the Pd-CO bond energy decreases. The ability to determine the surface composition allows for a better understanding of the spectroscopic and catalytic properties of bimetallic nanoparticle catalysts.

Wu, Tiapin; Childers, David; Gomez, Carolina; Karim, Ayman M.; Schweitzer, Neil; Kropf, Arthur; Wang, Hui; Bolin, Trudy B.; Hu, Yongfeng; Kovarik, Libor; Meyer, Randall; Miller, Jeffrey T.

2012-10-31T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


141

Multipixel characterization of imaging CZT detectors for hard X-ray imaging and spectroscopy  

E-Print Network (OSTI)

We report our in-depth study of Cd-Zn-Te (CZT) crystals to determine an optimum pixel and guard band configuration for Hard X-ray imaging and spectroscopy. We tested 20x20x5mm crystals with 8x8 pixels on a 2.46mm pitch. We have studied different types of cathode / anode contacts and different pixel pad sizes. We present the measurements of leakage current as well as spectral response for each pixel. Our I-V measurement setup is custom designed to allow automated measurements of the I-V curves sequentially for all 64 pixels, whereas the radiation properties measurement setup allows for interchangeable crystals with the same XAIM3.2 ASIC readout from IDEAS. We have tested multiple crystals of each type, and each crystal in different positions to measure the variation between individual crystals and variation among the ASIC channels. We also compare the same crystals with and without a grounded guard band deposited on the crystal side walls vs. a floating guard band and compare results to simulations. This study was carried out to find the optimum CZT crystal configuration for prototype detectors for the proposed Black-Hole Finder mission, EXIST.

S. V. Vadawale; J. Hong; J. Grindlay; P. Williams; M. Zhang; E. Bellm; T. Narita; W. Craig; B. Parker; C. Stahle; Feng Yan

2004-09-03T23:59:59.000Z

142

[Research at and operation of the material science x-ray absorption beamline (X-11) at the National Synchrotron Light Source]. Progress report  

Science Conference Proceedings (OSTI)

This report discusses three projects at the Material Science X-Ray Absorption Beamline. Topics discussed include: XAFS study of some titanium silicon and germanium compounds; initial XAS results of zirconium/silicon reactions; and low angle electron yield detector.

Not Available

1992-08-01T23:59:59.000Z

143

(Research at and operation of the material science x-ray absorption beamline (X-11) at the National Synchrotron Light Source)  

Science Conference Proceedings (OSTI)

This report discusses three projects at the Material Science X-Ray Absorption Beamline. Topics discussed include: XAFS study of some titanium silicon and germanium compounds; initial XAS results of zirconium/silicon reactions; and low angle electron yield detector.

Not Available

1992-01-01T23:59:59.000Z

144

Critical-angle transmission grating spectrometer for high-resolution soft x-ray spectroscopy on the International X-ray Observatory  

E-Print Network (OSTI)

High-resolution spectroscopy at energies below 1 keV covers the lines of C, N, O, Ne and Fe ions, and is central to studies of the Interstellar Medium, the Warm Hot Intergalactic Medium, warm absorption and outflows in ...

Heilmann, Ralf K.

145

Soft X-ray emission spectroscopy of liquids and lithium batterymaterials  

SciTech Connect

Lithium ion insertion into electrode materials is commonly used in rechargeable battery technology. The insertion implies changes in both the crystal structure and the electronic structure of the electrode material. Side-reactions may occur on the surface of the electrode which is exposed to the electrolyte and form a solid electrolyte interface (SEI). The understanding of these processes is of great importance for improving battery performance. The chemical and physical properties of water and alcohols are complicated by the presence of strong hydrogen bonding. Various experimental techniques have been used to study geometrical structures and different models have been proposed to view the details of how these liquids are geometrically organized by hydrogen bonding. However, very little is known about the electronic structure of these liquids, mainly due to the lack of suitable experimental tools. In this thesis examples of studies of lithium battery electrodes and liquid systems using soft x-ray emission spectroscopy will be presented. Monochromatized synchrotron radiation has been used to accomplish selective excitation, in terms of energy and polarization. The electronic structure of graphite electrodes has been studied, before and after lithium intercalation. Changes in the electronic structure upon lithiation due to transfer of electrons into the graphite {pi}-bands have been observed. Transfer of electrons in to the 3d states of transition metal oxides upon lithiation have been studied, through low energy excitations as dd- and charge transfer-excitations. A SEI was detected on cycled graphite electrodes. By the use of selective excitation different carbon sites were probed in the SEI. The local electronic structure of water, methanol and mixtures of the two have been examined using a special liquid cell, to separate the liquid from the vacuum in the experimental chamber. Results from the study of liquid water showed a strong influence on the 3a1 molecular orbital and orbital mixing between water molecules upon hydrogen bonding. Apart from the four-hydrogen-bonding structure in water, a structure where one hydrogen bond is broken could be separated and identified. The soft x-ray emission study of methanol showed the existence of ring and chain formations in the liquid phase and the dominating structures are formed of 6 and 8 molecules. Upon mixing of the two liquids, a segregation at the molecular level was found and the formation of new structures, which could explain the unexpected low increase of the entropy.

Augustsson, Andreas

2004-10-27T23:59:59.000Z

146

High-Resolution Structure of the Photosynthetic Mn4Ca Catalyst from X-ray Spectroscopy  

E-Print Network (OSTI)

the Photosynthetic Mn 4 Ca Catalyst from X-ray Spectroscopystructure of the Mn 4 Ca catalyst at high-resolution whichthe structure of Mn 4 Ca catalyst as it cycles through the

Yano, Junko

2008-01-01T23:59:59.000Z

147

Imaging X-ray spectroscopy with micro-X and Chandra  

E-Print Network (OSTI)

High spectral resolution observations of X-ray phenomena have the potential to uncover new physics. Currently, only point sources can be probed with high resolution spectra, using gratings. Extended objects like supernova ...

Rutherford, John (John Morton)

2013-01-01T23:59:59.000Z

148

A high-resolution large-acceptance analyzer for X-ray fluorescence and Raman spectroscopy  

E-Print Network (OSTI)

E. Berman and Z. Yin, at the NSLS as well as Dr. H. Tompkinswhich was taken at the NSLS beamline X-25 shows a cleanwith soft X-rays. At the NSLS wiggler beamline X-25, we

Bergmann, Uwe; Cramer, Stephen P.

2001-01-01T23:59:59.000Z

149

X-ray afterglows and spectroscopy of Gamma-Ray Bursts  

E-Print Network (OSTI)

I will review the constraints set by X-ray measurements of afterglows on several issues of GRB, with particular regard to the fireball model, the environment, the progenitor and dark GRB.

Luigi Piro

2004-02-26T23:59:59.000Z

150

Ionized Ultraviolet and Soft-X-ray Absorptions in the Low Redshift Active Galactic Nucleus PG1126-041  

E-Print Network (OSTI)

We present here the analysis of ultraviolet spectra from IUE and an X-ray spectrum from ROSAT PSPC observations of the X-ray weak, far-infrared loud AGN, PG 1126-041 (Mrk 1298). The first UV spectra taken in June 1992, simultaneously with ROSAT, show strong absorption lines of NV, CIV and SiIV, extending over a velocity range from -1000 to -5000 km/s with respect to the corresponding line centre. Our analysis shows that the Broad Emission Line Region (BELR) is, at least partially, covered by the material causing these absorption lines. In the IUE spectrum taken in Jan. 1995, the continuum was a factor of two brighter and the UV absorption lines are found to be considerably weaker than in 1992, but only little variation in the emission line fluxes is found. With UV spectral indices of A_{uv} \\simeq 1.82 and 1.46 for the 1992 and 1995 data, the far UV spectrum is steep. Based on the emission line ratios and the broad band spectral energy distribution, we argue that the steepness of the UV spectrum is unlikely t...

Wang, T G; Wamsteker, W; Yuan, W; Wang, J X

1999-01-01T23:59:59.000Z

151

Resonant Soft X-Ray Scattering - Combining Structural with Spectroscopic  

NLE Websites -- All DOE Office Websites (Extended Search)

Resonant Soft X-Ray Scattering - Combining Structural with Spectroscopic Resonant Soft X-Ray Scattering - Combining Structural with Spectroscopic Refinement Friday, September 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 of materials. Resonant absorption edges in the soft x-ray regime are especially interesting as they allow the study of the lighter elements, such as in organic or organo-metallic substances, as well as important L-edges of the 3d transition metals important in magnetic and oxide systems. Measurements of soft x-ray absorption spectra are inherently surface sensitive, and are plagued by issues such as extinction (in electron yield measurements) or self absorption (in fluorescence yield

152

Module to guide the expert use of x-ray photoelectron spectroscopy by corrosion scientists  

SciTech Connect

This contribution, to the potential development of data systems having some degree of 'expert' character for use in x-ray photoelectron spectroscopy (XPS), illustrates the manner in which models of 'Rules' might be developed by the user community. The field of corrosion science is taken as an example of one community of researchers who make regular use of XPS for well defined needs. These 'needs' are redefined as a series of Goals that have to be reached in order to characterize the surface in terms of layer sequences and the enrichment of given elements within them. Rules are written to allow a structured approach to achieve each Goal. A feature of this set of Rules is that they are designed expressly to allow automated interpretation of the survey scan. This approach is facilitated by the use of a recommendation that the survey spectrum be acquired as a series of accumulated scans instead of the usual approach of making a single scan through the spectrum. Repeat scans enable the information extracted by the operation of the Rules to be processed and displayed for information during the period that is normally used for the survey scan. It is intended that this information will inform the setting up of any subsequent high resolution scans and their interactive interpretation. It will also inform any future operations such as ion etching or angle-resolved measurements. In some cases, the information made available may be all that is required by the user and in this case the 'expert module' approach becomes particularly cost effective. The operation of the rules is illustrated throughout by an examination of data obtained for passivated stainless steel, giving a data set of measurements, typical of those made by corrosion scientists, that can be compared with the literature values obtained by more conventional XPS interpretation.

Castle, J. E. [Surface Analysis Laboratory, School of Engineering, Mail Drop H6, University of Surrey, Guildford GU2 7XH (United Kingdom)

2007-01-15T23:59:59.000Z

153

In situ X-ray Absorption Spectroscopic Investigation of the Electrochemical Conversion Reactions of CuF2-MoO3 Nanocomposite  

DOE Green Energy (OSTI)

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.

A Mansour; F Badway; W Yoon; K Chung; G Amatucci

2011-12-31T23:59:59.000Z

154

Stability of Jahn-Teller distortion in LaMnO{sub 3} under pressure: An x-ray absorption study  

SciTech Connect

The local environment of manganese atoms in LaMnO{sub 3} under pressure up to 15.3 GPa has been studied by x-ray absorption spectroscopy. For pressures below 8 GPa, no change is detected within the MnO{sub 6} octahedra. Above this pressure a continuous reduction of the long Mn-O distance takes place, however, the octahedral distortion persists over the whole pressure range. At 15.3 GPa the average Jahn-Teller splitting of the distances is reduced by about one-third, indicating that a total removal of the local Jahn-Teller distortion would occur only for pressures around 30 GPa, where metallization is reported to take place. A hysteresis in the long distance reduction is observed down to ambient pressure, suggesting the coexistence of MnO{sub 6} distorted and undistorted units.

Ramos, Aline Y.; Tolentino, Helio C. N.; Souza-Neto, Narcizo M.; Itie, Jean-Paul; Morales, Liliana; Caneiro, Alberto [Institut Neel, UPR 2940-CNRS, 25 av. des Martyrs, Boite Postale 166, 38042 Grenoble, France and Laboratorio Nacional de Luz Sincrotron-LNLS, P.O. Box 6192, 13084-971, Campinas, Sao Paulo (Brazil); Laboratorio Nacional de Luz Sincrotron-LNLS, P.O. Box 6192, 13084-971, Campinas, Sao Paulo, Brazil and Departamento de Fisica dos Materiais e Mecanica, DFMT-IF-USP, Sao Paulo, SP (Brazil); Synchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin, Boite Postale 48, 91192 Gif-sur-Yvette Cedex (France); Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica and Universidad Nacional de Cuyo, 8400 S.C. de Bariloche (Argentina)

2007-02-01T23:59:59.000Z

155

X-ray absorption spectroscopic studies of the dinuclear iron center in methane monooxygenase and the sulfure and chlorine centers in photographic materials  

DOE Green Energy (OSTI)

The dinuclear iron center of the hydroxylase component of soluble methane monooxygenase (MMO) from Methylococcus capsulatus and Methylosinus trichosporiwn has been studied by X-ray absorption spectroscopy. Analysis of the Fe K-edge EXAFS revealed that the first shell coordination of the Fe(HI)Fe(IH) oxidized state of the hydroxylase from M. capsulatus consists of approximately 6 N and 0 atoms at an average distance of 2.04 {Angstrom}. The Fe-Fe distance was determined to be 3.4 {Angstrom}. No evidence for the presence of a short oxo bridge in the iron center of the oxidized hydroxylase was found, suggesting that the active site of MMO is significantly different from the active sites of the dinuclear iron proteins hemery and ribonucleotide reductase. In addition, the results of the first shell fits suggest that there are more oxygen than nitrogen donor ligands.

DeWitt, J.G.

1992-12-01T23:59:59.000Z

156

X-ray absorption spectroscopic studies of the dinuclear iron center in methane monooxygenase and the sulfure and chlorine centers in photographic materials  

DOE Green Energy (OSTI)

The dinuclear iron center of the hydroxylase component of soluble methane monooxygenase (MMO) from Methylococcus capsulatus and Methylosinus trichosporiwn has been studied by X-ray absorption spectroscopy. Analysis of the Fe K-edge EXAFS revealed that the first shell coordination of the Fe(HI)Fe(IH) oxidized state of the hydroxylase from M. capsulatus consists of approximately 6 N and 0 atoms at an average distance of 2.04 [Angstrom]. The Fe-Fe distance was determined to be 3.4 [Angstrom]. No evidence for the presence of a short oxo bridge in the iron center of the oxidized hydroxylase was found, suggesting that the active site of MMO is significantly different from the active sites of the dinuclear iron proteins hemery and ribonucleotide reductase. In addition, the results of the first shell fits suggest that there are more oxygen than nitrogen donor ligands.

DeWitt, J.G.

1992-12-01T23:59:59.000Z

157

Synchrotron x-ray spectroscopy of Eu/HNO{sub 3} aqueous solutions at high temperatures and pressures and Nb-bearing silicate melt phases coexisting with hydrothermal fluids using a modified hydrothermal diamond anvil cell and rail assembly  

Science Conference Proceedings (OSTI)

A modified hydrothermal diamond anvil cell (HDAC) rail assembly has been constructed for making synchrotron x-ray absorption spectroscopy, x-ray fluorescence, and x-ray mapping measurements on fluids or solid phases in contact with hydrothermal fluids up to {approx}900 deg. C and 700 MPa. The diamond anvils of the HDAC are modified by laser milling grooves or holes, for the reduction of attenuation of incident and fluorescent x rays and sample cavities. The modified HDAC rail assembly has flexibility in design for measurement of light elements at low concentrations or heavy elements at trace levels in the sample and the capability to probe minute individual phases of a multiphase fluid-based system using focused x-ray microbeam. The supporting rail allows for uniform translation of the HDAC, rotation and tilt stages, and a focusing mirror, which is used to illuminate the sample for visual observation using a microscope, relative to the direction of the incident x-ray beam. A structure study of Eu(III) aqua ion behavior in high-temperature aqueous solutions and a study of Nb partitioning and coordination in a silicate melt in contact with a hydrothermal fluid are described as applications utilizing the modified HDAC rail assembly.

Mayanovic, Robert A.; Anderson, Alan J.; Bassett, William A.; Chou, I-Ming [Department of Physics, Astronomy and Materials Science, Missouri State University, Springfield, Missouri 65897 (United States); Department of Earth Sciences, St. Francis Xavier University, P.O. Box 5000, Antigonish, Nova Scotia B2G 2W5 (Canada); Department of Earth and Atmospheric Sciences, Cornell University, Ithaca, New York 14853 (United States); MS 954, U.S. Geological Survey, Reston, Virginia 20192 (United States)

2007-05-15T23:59:59.000Z

158

Surface Structure and Chemical Switching of Thioctic Acid Adsorbed on Au(111) as Observed Using Near-Edge X-ray Absorption Fine Structure  

DOE Green Energy (OSTI)

Thioctic acid (alpha-lipoic acid) is a molecule with a large disulfide-containing base, a short alkyl-chain with four CH{sub 2} units, and a carboxyl termination. Self-assembled monolayer (SAM) films of thioctic acid adsorbed on Au(111) have been investigated with near-edge x-ray absorption fine structure (NEXAFS) spectroscopy and x-ray photoelectron spectroscopy (XPS) to determine film quality, bonding and morphology. Using standard preparation protocols for SAMs, that is, dissolving thioctic acid in ethanol and exposing gold to the solution, results in poor films. These films are highly disordered, contain a mixture of carboxyl and carboxylate terminations, have more than monolayer coverage, and exhibit unbound disulfide. Conversely, forming films by dissolving 1 mmol thioctic acid into 5% acetic acid in ethanol (as previously reported with carboxyl-terminated alkyl-thiols) forms ordered monolayers with small amounts of unbound sulfur. NEXAFS indicates tilted over endgroups with the carboxyl group normal on average 38{sup o} from the surface normal. Slight dichroism in other features indicates alkyl chains statistically more upright than prostrate on the surface. Reflection-absorption Fourier transform infrared (RA-FTIR) spectra indicate hydrogen bonding between neighboring molecules. In such well-formed monolayers, a stark reorientation occurs upon deprotonation of the endgroup by rinsing in a KOH solution. The carboxylate plane normal is now about 66{sup o} from sample normal, a much more upright orientation. Data indicate this reorientation may also cause a more upright orientation to the alkyl portion of the molecules.

Meulenberg, R W; van Buuren, T; Vance, A L; Terminello, L J; Willey, T M; Bostedt, C; Fadley, C S

2004-01-06T23:59:59.000Z

159

Resonant x-ray emission spectroscopy of liquid water: novel instrumentation, high resolution, and the"map" approach  

DOE Green Energy (OSTI)

Techniques to study the electronic structure of liquids are rare. Most recently, resonant x-ray emission spectroscopy (XES) has been shown to be an extremely versatile spectroscopy to study both occupied and unoccupied electronic states for liquids in thermodynamic equilibrium. However, XES requires high-brilliance soft x-ray synchrotron radiation and poses significant technical challenges to maintain a liquid sample in an ultra-high vacuum environment. Our group has therefore developed and constructed a novel experimental setup for the study of liquids, with the long-term goal of investigating the electronic structure of biological systems in aqueous environments. We have developed a flow-through liquid cell in which the liquid is separated from vacuum by a thin Si3N4 or SiC window and which allows a precise control of temperature. This approach has significant advantages compared to static liquids cells used in the past. Furthermore, we have designed a dedicated high-transmission, high-resolution soft x-ray spectrometer. The high transmission makes it possible to measure complete resonant XES"maps" in less than an hour, giving unprecedented detailed insight into the electronic structure of the investigated sample. Using this new equipment we have investigated the electronic structure of liquid water. Furthermore, our XES spectra and maps give information about ultra-fast dissociation on the timescale of the O 1s core hole lifetime, which is strongly affected by the initial state hydrogen bonding configuration.

Weinhardt, L.; Fuchs, O.; Blum, M.; Br, M.; Weigand, M.; Denlinger, J.D.; Zubavichus, Y.; Zharnikov, M.; Grunze, M.; Heske, C.; Umbach, E.

2008-06-17T23:59:59.000Z

160

In situ Ru K-edge x-ray absorption fine structure studies of electroprecipitated ruthenium dioxide films with relevance to supercapacitor applications.  

SciTech Connect

Modifications in electronic and structural aspects of RuO{sub 2} films electroprecipitated onto Au electrodes induced by changes in the applied potential have been examined in situ in aqueous 0.50 M H{sub 2}SO{sub 4} by Ru K-edge X-ray absorption spectroscopy (XAS). The Fourier transform of the k{sup 3}-weighted extended X-ray absorption fine structure (EXAFS), k{sup 3}x(k), for the film polarized at +1.20V vs RHE is characterized by two shells attributed to Ru-O and Ru-Ru interactions with average distances of 1.94(1) and 3.12(2) {angstrom}, respectively, in agreement with results obtained ex situ for Ru{sup 4+} in hydrous RuO{sub 2} by other groups. In contrast, films in the reduced state, i.e., +0.40 V vs RHE, yielded only a single shell ascribed to a Ru-O interaction at 2.02(1) {angstrom} with no evidence for a distant Ru-Ru shell. The long Ru-O distance is in agreement with that reported earlier for the hydrous Ru{sup 3+} ion [Ru-(OH{sub 2}){sub 6}]{sup 3+} in the solid state. Moreover, the difference between the average Ru-O bond lengths for the reduced and oxidized films is consistent with the difference in the ionic radii of Ru{sup 3+} and Ru{sup 4+}. On this basis it has been suggested that films in the reduced state contain Ru{sup 3+} sites, consistent with the electrochemical results, in a phase with apparently less order beyond the Ru-O coordination sphere than for hydrous RuO{sub 2}.

Mo, Y.; Antonio, M. R.; Stefan, I. C.; Scherson, D. A.; Chemistry; Case Western Reserve Univ.

2000-10-26T23:59:59.000Z

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161

Local Effects in the X-ray Absorption Spectrum of CaCl2, MgCl2, and NaCl Solutions  

DOE Green Energy (OSTI)

Both first principles molecular dynamics and theoretical X-ray absorption spectroscopy have been used to investigate the aqueous solvation of cations in 0.5 M MgCl{sub 2}, CaCl{sub 2}, and NaCl solutions. We focus here on the species-specific effects that Mg{sup 2+}, Ca{sup 2+}, and Na{sup +}, have on the X-ray absorption spectrum of the respective solutions. For the divalent cations, we find that the hydrogen bonding characteristics of the more rigid magnesium first shell water molecules differ from those in the more flexible solvation shell surrounding calcium. In particular, the first solvation shell water molecules of calcium are accessible to forming acceptor hydrogen bonds, and this results in an enhancement of a post-edge peak near 540 eV. The absence of acceptor hydrogen bonds for magnesium first shell water molecules provides an explanation for the experimental and theoretical observation of a lack of enhancement at the post-main-edge peak. For the sodium monovalent cation we find that the broad tilt angle distribution results in a broadening of post-edge features, despite populations in donor-and-acceptor configurations consistent with calcium. We also present the re-averaged spectra of the MgCl{sub 2}, CaCl{sub 2}, and NaCl solutions and show that trends apparent with increasing concentration (0.5 M, 2.0 M, 4.0 M) are consistent with experiment. Finally, we examine more closely both the effect that cation coordination number has on the hydrogen bonding network and the relative perturbation strength of the cations on lone pair oxygen orbitals.

Kulik, H J; Correa Tedesco, A A; Schwegler, E; Prendergast, D; Galli, G

2010-04-12T23:59:59.000Z

162

Synchrotron X-ray Measurements  

Science Conference Proceedings (OSTI)

... fine structure (EXAFS) spectroscopy; (3) variable kinetic energy X-ray ... advanced materials is critical to the development and optimization of products ...

2012-10-04T23:59:59.000Z

163

Firmware lower-level discrimination and compression applied to streaming x-ray photon correlation spectroscopy area-detector data  

Science Conference Proceedings (OSTI)

We present a data acquisition system to perform on-the-fly background subtraction and lower-level discrimination compression of streaming x-ray photon correlation spectroscopy data from a fast charge-coupled device (CCD) area detector. The system is built using a commercial frame grabber with an on-board field-programmable gate array. The system is capable of continuously processing at least 60 CCD frames per second each consisting of 1024 x 1024 16-bit pixels with < or approx. 15 000 photon hits per frame at a maximum compression factor of {approx_equal}95%.

Madden, T.; Fernandez, P.; Jemian, P.; Narayanan, S.; Sandy, A. R.; Sikorski, M.; Sprung, M.; Weizeorick, J. [X-Ray Science Division, Argonne National Laboratory, 9700 S. Cass Ave., Argonne, Illinois 60439 (United States)

2011-07-15T23:59:59.000Z

164

SOFT X-RAY SPECTROSCOPY OF THE CYGNUS LOOP SUPERNOVA REMNANT  

SciTech Connect

We present the results of a suborbital rocket flight whose scientific target was the Cygnus Loop Supernova Remnant. The payload consists of wire grid collimators, off-plane grating arrays, and gaseous electron multiplier (GEM) detectors. The system is designed for spectral measurements in the 17-107 A bandpass with a resolution up to {approx}60 ({lambda}/{Delta}{lambda}). The Extended X-ray Off-plane Spectrometer (EXOS) was launched on a Terrier-Black Brant rocket on 2009 November 13 from White Sands Missile Range and obtained 340 s of useable scientific data. The X-ray emission is dominated by O VII and O VIII, including the He-like O VII triplet at {approx}22 A. Another emission feature at {approx}45 A is composed primarily of Si XI and Si XII. The best-fit model to this spectrum is an equilibrium plasma model at a temperature of log(T) = 6.4 (0.23 keV).

Oakley, Phil [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, 77 Massachusetts Ave., 37-582F, Cambridge, MA 02139 (United States)] [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, 77 Massachusetts Ave., 37-582F, Cambridge, MA 02139 (United States); McEntaffer, Randall [Department of Physics and Astronomy, Van Allen Hall, University of Iowa, Iowa City, IA 52242 (United States)] [Department of Physics and Astronomy, Van Allen Hall, University of Iowa, Iowa City, IA 52242 (United States); Cash, Webster, E-mail: Oakley@mit.edu [Center for Astrophysics and Space Astronomy, University of Colorado, Boulder, CO 80309 (United States)] [Center for Astrophysics and Space Astronomy, University of Colorado, Boulder, CO 80309 (United States)

2013-03-20T23:59:59.000Z

165

Photo-Induced Spin-State Conversion in Solvated Transition Metal Complexes Probed via Time-Resolved Soft X-ray Spectroscopy  

SciTech Connect

Solution-phase photoinduced low-spin to high-spin conversion in the FeII polypyridyl complex [Fe(tren(py)3)]2+ (where tren(py)3 is tris(2-pyridylmethyliminoethyl)amine) has been studied via picosecond soft X-ray spectroscopy. Following 1A1 --> 1MLCT (metal-to-ligand charge transfer) excitation at 560 nm, changes in the iron L2- and L3-edges were observed concomitant with formation of the transient high-spin 5T2 state. Charge-transfer multiplet calculations coupled with data acquired on low-spin and high-spin model complexes revealed a reduction in ligand field splitting of 1 eV in the high-spin state relative to the singlet ground state. A significant reduction in orbital overlap between the central Fe-3d and the ligand N-2p orbitals was directly observed, consistent with the expected ca. 0.2 Angstrom increase in Fe-N bond length upon formation of the high-spin state. The overall occupancy of the Fe-3d orbitals remains constant upon spin crossover, suggesting that the reduction in sigma-donation is compensated by significant attenuation of pi-back-bonding in the metal-ligand interactions. These results demonstrate the feasibility and unique potential of time-resolved soft X-ray absorption spectroscopy to study ultrafast reactions in the liquid phase by directly probing the valence orbitals of first-row metals as well as lighter elements during the course of photochemical transformations.

Huse, Nils; Kim, Tae Kyu; Jamula, Lindsey; McCusker, James K.; de Groot, Frank M. F.; Schoenlein, Robert W.

2010-04-30T23:59:59.000Z

166

Experimental and Theoretical Comparison of the O K-Edge Nonresonant Inelastic X-ray Scattering and X-ray Absorption Spectra of NaReO[subscript 4  

Science Conference Proceedings (OSTI)

Accurate X-ray absorption spectra (XAS) of first row atoms, e.g., O, are notoriously difficult to obtain due to the extreme sensitivity of the measurement to surface contamination, self-absorption, and saturation affects. Herein, we describe a comprehensive approach for determining reliable O K-edge XAS data for ReO{sub 4}{sup 1-} and provide methodology for obtaining trustworthy and quantitative data on nonconducting molecular systems, even in the presence of surface contamination. This involves comparing spectra measured by nonresonant inelastic X-ray scattering (NRIXS), a bulk-sensitive technique that is not prone to X-ray self-absorption and provides exact peak intensities, with XAS spectra obtained by three different detection modes, namely total electron yield (TEY), fluorescence yield (FY), and scanning transmission X-ray microscopy (STXM). For ReO{sub 4}{sup 1-}, TEY measurements were heavily influenced by surface contamination, while the FY and STXM data agree well with the bulk NRIXS analysis. These spectra all showed two intense pre-edge features indicative of the covalent interaction between the Re 5d and O 2p orbitals. Density functional theory calculations were used to assign these two peaks as O 1s excitations to the e and t{sub 2} molecular orbitals that result from Re 5d and O 2p covalent mixing in T{sub d} symmetry. Electronic structure calculations were used to determine the amount of O 2p character (%) in these molecular orbitals. Time dependent-density functional theory (TD-DFT) was also used to calculate the energies and intensities of the pre-edge transitions. Overall, under these experimental conditions, this analysis suggests that NRIXS, STXM, and FY operate cooperatively, providing a sound basis for validation of bulk-like excitation spectra and, in combination with electronic structure calculations, suggest that NaReO{sub 4} may serve as a well-defined O K-edge energy and intensity standard for future O K-edge XAS studies.

Bradley, Joseph A.; Yang, Ping; Batista, Enrique R.; Boland, Kevin S.; Burns, Carol J.; Clark, David L.; Conradson, Steven D.; Kozimor, Stosh A.; Martin, Richard L.; Seidler, Gerald T.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Wolfsberg, Laura E. (PNNL); (UWASH); (LBNL); (LANL)

2010-12-07T23:59:59.000Z

167

Experimental and Theoretical Comparison of the O K-Edge Non-Resonant Inelastic X-ray Scattering and X-ray Absorption Spectra of NaReO4  

Science Conference Proceedings (OSTI)

Accurate X-ray absorption spectra (XAS) of first row atoms, e.g. O, are notoriously difficult to obtain due to the extreme sensitivity of the measurement to surface contamination, self-absorption, and saturation effects. Herein, we describe a comprehensive approach for determining reliable O K-edge XAS data for ReO41- and provide methodology for obtaining trustworthy and quantitative data on non-conducting molecular systems, even in the presence of surface contamination. This involves comparing spectra measured by non-resonant inelastic X-ray scattering (NRIXS), a bulk-sensitive technique that is not prone to X-ray self-absorption and provides exact peak intensities, with XAS spectra obtained by three different detection modes, namely total electron yield (TEY), fluorescence yield (FY), and scanning transmission X-ray microscopy (STXM). For ReO41-, TEY measurements were heavily influenced by surface contamination, while the FY and STXM data agree well with the bulk NRIXS analysis. These spectra all showed two intense pre-edge features indicative of the covalent interaction between the Re 5d and O 2p orbitals. Time dependent density functional theory calculations were used to assign these two peaks as O 1s excitations to the e and t2 molecular orbitals that result from Re 5d and O 2p covalent mixing in Td symmetry. Electronic structure calculations were used to determine the amount of O 2p character (%) in these molecular orbitals. Time-dependent density functional theory (TD-DFT) was also used to calculate the energies and intensities of the pre-edge transitions. Overall, under these experimental conditions, this analysis suggests that NRIXS, STXM, and FY operate cooperatively, providing a sound basis for validation of bulk-like excitation spectra and, in combination with electronic structure calculations, suggest that NaReO4 may serve as a well-defined O K-edge energy and intensity standard for future O K edge XAS studies.

Bradley, Joseph A.; Yang, Ping; Batista, Enrique R.; Boland, Kevin S.; Burns, Carol J.; Clark, David L.; Conradson, Steven D.; Kozimor, Stosh A.; Martin, Richard L.; Seidler, Gerald T.; Scott, Brian L.; Shuh, David K.; Tyliszczak, T.; Wilkerson, Marianne P.; Wolfsberg, Laura E.

2010-09-14T23:59:59.000Z

168

A Thorough Look at the Photoionized Wind and Absorption Dips in the Cygnus X-1 / HDE 226868 X-ray Binary System  

E-Print Network (OSTI)

We present results from simultaneous observations of the high-mass X-ray binary system Cygnus X-1 / HDE 226868 with Suzaku, Chandra-HETGS, XMM-Newton, RXTE, INTEGRAL, and Swift in 2008 April. Performed shortly after orbital phase 0, when our line of sight to the black hole passes through the densest part of the O-star's wind, these obervations show common transient absorption dips in the soft X-ray band. For the first time, however, we detect a simultaneous scattering trough in the hard X-ray light curves. The more neutral clump is thus only the core of a larger ionized blob, which contains a significant fraction of the total wind mass. The diluted wind outside of these clumps is almost completely photoionized.

Hanke, Manfred; Nowak, Michael A; Barragn, Laura; Pottschmidt, Katja; Schulz, Norbert S; Lee, Julia C

2010-01-01T23:59:59.000Z

169

In Situ X-Ray Absorption Spectroscopy Study of Hydrogen Absorption...  

NLE Websites -- All DOE Office Websites (Extended Search)

Buildings Cool Roofs and Heat Islands Demand Response Energy Efficiency Program and Market Trends High Technology and Industrial Buildings Lighting Systems Residential Buildings...

170

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

NLE Websites -- All DOE Office Websites (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...

171

Annealing dependence of diamond-metal Schottky barrier heights probed by hard x-ray photoelectron spectroscopy  

SciTech Connect

Hard x-ray photoelectron spectroscopy was applied to investigate the diamond-metal Schottky barrier heights for several metals and diamond surface terminations. The position of the diamond valence-band maximum was determined by theoretically calculating the diamond density of states and applying cross section corrections. The diamond-platinum Schottky barrier height was lowered by 0.2 eV after thermal annealing, indicating annealing may increase carrier injection in diamond devices leading to photoconductive gain. The platinum contacts on oxygen-terminated diamond was found to provide a higher Schottky barrier and therefore a better blocking contact than that of the silver contact in diamond-based electronic devices.

Gaowei, M.; Muller, E. M. [Department of Materials Science and Engineering, SUNY Stony Brook, Stony Brook, New York 11794 (United States); Rumaiz, A. K. [National Synchrotron Light Source, Brookhaven National Laboratory, Upton, New York 11973 (United States); Weiland, C.; Cockayne, E.; Woicik, J. C. [National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); Jordan-Sweet, J. [IBM T.J. Watson Research Center, Yorktown Heights, New York 10598 (United States); Smedley, J. [Instrumentation Department, Brookhaven National Laboratory, Upton, New York 11973 (United States)

2012-05-14T23:59:59.000Z

172

X-ray photoelectron spectroscopy studies on Pd doped SnO{sub 2} liquid petroleum gas sensor  

Science Conference Proceedings (OSTI)

The present investigation deals with the electrical response of palladium doped tin oxide, as a means of improving the selectivity for liquid petroleum gas (LPG) in the presence of CO, CH{sub 4}. The sensor element with the composition of Pd(1.5 wt{percent}) in the base material SnO{sub 2} sintered at 800{degree}C, has shown a high sensitivity towards LPG with a negligible cross interference of CO and CH{sub 4} at an operating temperature of 350{degree}C. This greatly suggests the possibility of utilizing the sensor for the detection of LPG. X-ray photoelectron spectroscopy studies have been carried out to determine the possible chemical species involved in the gas-solid interaction and the enhancing mechanism of the Pd doped SnO{sub 2} sensor element, towards LPG sensitivity. {copyright} {ital 1997 American Institute of Physics.}

Phani, A.R. [Department of Physics, University of LAquila, 67040, LAquila (Italy)

1997-10-01T23:59:59.000Z

173

Energy band alignment of InGaZnO{sub 4}/Si heterojunction determined by x-ray photoelectron spectroscopy  

SciTech Connect

X-ray photoelectron spectroscopy was utilized to determine the valence band offset ({Delta}E{sub V}) of the InGaZnO{sub 4} (IGZO)/Si heterojunction. The IGZO films were grown on Si (100) using radio frequency magnetron sputtering. A value of {Delta}E{sub V} = 2.53 eV was obtained by using In 3d{sub 5/2}, Ga 2p{sub 3/2} core energy levels as references. Taking into consideration the experimental band gap of 3.20 eV of the IGZO, this would result in a conduction band offset {Delta}E{sub C} = 0.45 eV in this heterostructure.

Xie Zhangyi; Lu Hongliang; Xu Saisheng; Geng Yang; Sun Qingqing; Ding Shijin; Zhang, David Wei [State Key Laboratory of ASIC and System, Department of Microelectronics, Fudan University, Shanghai 200433 (China)

2012-12-17T23:59:59.000Z

174

High-resolution x-ray spectroscopy with the EBIT Calorimeter Spectrometer  

Science Conference Proceedings (OSTI)

The EBIT Calorimeter Spectrometer (ECS) is a production-class 36 pixel x-ray calorimeter spectrometer that has been continuously operating at the Electron Beam Ion Trap (EBIT) facility at Lawrence Livermore National Laboratory for almost 2 years. The ECS was designed to be a long-lifetime, turn-key spectrometer that couples high performance with ease of operation and minimal operator intervention. To this end, a variant of the Suzaku/XRS spaceflight detector system has been coupled to a low-maintenance cryogenic system consisting of a long-lifetime liquid He cryostat, and a closed cycle, {sup 3}He pre-cooled adiabatic demagnetization refrigerator. The ECS operates for almost 3 weeks between cryogenic servicing and the ADR operates at 0.05 K for more than 60 hours between automatic recycles under software control. Half of the ECS semiconductor detector array is populated with mid-band pixels that have a resolution of 4.5 eV FWHM, a bandpass from 0.05-12 keV, and a quantum efficiency of 95% at 6 keV. The other half of the array has thick HgTe absorbers that have a bandpass from 0.3 to over 100 keV, an energy resolution of 33 eV FWHM, and a quantum efficiency of 32% at 60 keV. In addition, the ECS uses a real-time, autonomous, data collection and analysis system developed for the Suzaku/XRS instrument and implemented in off-the-shelf hardware for the ECS. Here we will discuss the performance of the ECS instrument and its implementation as a turnkey cryogenic detector system.

Porter, F S; Adams, J S; Beiersdorfer, P; Brown, G V; Clementson, J; Frankel, M; Kahn, S M; Kelley, R L; Kilbourne, C A

2009-10-01T23:59:59.000Z

175

X-ray absorption near edge structure spectrometry study of nickel and lead speciation in coals and coal combustion products  

SciTech Connect

The fate and environmental impacts of trace elements from coal fired power stations are a significant concern because of the large quantities of coal used as an energy source. The ultimate environmental fate and health impact of some of these trace elements is dependent on their various forms and oxidation states. Nickel and lead are two of the trace elements classified as 'priority pollutants' by the National Pollutant Inventory (NPI) in Australia. This study attempts to understand speciation of nickel and lead in coal and coal combustion products from five coal fired power stations in Australia where bituminous rank coals are utilized. Non-destructive X-ray Absorption Near Edge Structure Spectrometry (XANES) was used to determine speciation of these metals. Semiquantitative speciation of nickel and lead was calculated using a linear combination fit of XANES spectra obtained for selected pure reference compounds. In all fly ash samples, 28-80% of nickel was present as nickel in NiSO{sub 4} form, which is a more toxic and more bioavailable form of nickel. Less toxic NiO was detected in fly ash samples in the range of 0-15%. Speciation of lead revealed that 65-70% is present as PbS in the feed coals. In all fly ash samples analyzed, lead comprised different proportions of PbCl{sub 2}, PbO, and PbSO{sub 4}. PbCl{sub 2} and PbSO{sub 4} contents varied between 30-70% and 30-60%, respectively. Chemical reactions resulting in nickel and lead transformation that are likely to have occurred in the post-combustion environment are discussed. 22 refs., 7 figs., 7 tabs.

Pushan Shah; Vladimir Strezov; Peter F. Nelson [Macquarie University, Sydney, NSW (Australia). CRC for Coal in Sustainable Development

2009-03-15T23:59:59.000Z

176

Nuclear quantum effects in the structure and lineshapes of the N{sub 2} near-edge x-ray absorption fine structure spectrum  

SciTech Connect

We study the relative ability of several models of x-ray absorption spectra to capture the Franck-Condon structure apparent from an experiment on gaseous nitrogen. In doing so, we adopt the Born-Oppenheimer approximation and a constrained density functional theory method for computing the energies of the x-ray-excited molecule. Starting from an otherwise classical model for the spectrum, we systematically introduce more realistic physics, first by substituting the quantum mechanical nuclear radial density in the bond separation R for the classical radial density, then by adding the effect of zero-point energy and other level shifts, and finally by including explicit rovibrational quantization of both the ground and excited states. The quantization is determined exactly, using a discrete variable representation (DVR). We show that the near-edge x-ray absorption fine structure (NEXAFS) spectrum can be predicted semiquantitatively within this framework. We also address the possibility of non-trivial temperature dependence in the spectrum. By using constrained density functional theory in combination with more accurate potentials, we demonstrate that it is possible to improve the predicted spectrum. Ultimately, we establish the predictive limits of our method with respect to vibrational fine structure in NEXAFS spectra.

Fatehi, Shervin; Schwartz, Craig P.; Saykally, Richard J. [Department of Chemistry, University of California, Berkeley, California 94720 (United States) and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Prendergast, David [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

2010-03-07T23:59:59.000Z

177

In-situ X-ray photoelectron spectroscopy studies of water on metals and oxides at ambient conditions  

DOE Green Energy (OSTI)

X-ray photoelectron spectroscopy (XPS) is a powerful tool for surface and interface analysis, providing the elemental composition of surfaces and the local chemical environment of adsorbed species. Conventional XPS experiments have been limited to ultrahigh vacuum (UHV) conditions due to a short mean free path of electrons in a gas phase. The recent advances in instrumentation coupled with third-generation synchrotron radiation sources enables in-situ XPS measurements at pressures above 5 Torr. In this review, we describe the basic design of the ambient pressure XPS setup that combines differential pumping with an electrostatic focusing. We present examples of the application of in-situ XPS to studies of water adsorption on the surface of metals and oxides including Cu(110), Cu(111), TiO2(110) under environmental conditions of water vapor pressure. On all these surfaces we observe a general trend where hydroxyl groups form first, followed by molecular water adsorption. The importance of surface OH groups and their hydrogen bonding to water molecules in water adsorption on surfaces is discussed in detail.

Salmeron, Miquel; Yamamoto, S.; Bluhm, H.; Andersson, K.; Ketteler, G.; Ogasawara, H.; Salmeron, M.; Nilsson, A.

2007-10-29T23:59:59.000Z

178

In situ x-ray photoelectron spectroscopy studies of gas/solidinterfaces at near-ambient conditions  

Science Conference Proceedings (OSTI)

X-ray photoelectron spectroscopy (XPS) is a quantitative, chemically specific technique with a probing depth of a few angstroms to a few nanometers. It is therefore ideally suited to investigate the chemical nature of the surfaces of catalysts. Because of the scattering of electrons by gas molecules, XPS is generally performed under vacuum conditions. However, for thermodynamic and/or kinetic reasons, the catalyst's chemical state observed under vacuum reaction conditions is not necessarily the same as that of a catalyst under realistic operating pressures. Therefore, investigations of catalysts should ideally be performed under reaction conditions, i.e., in the presence of a gas or gas mixtures. Using differentially pumped chambers separated by small apertures, XPS can operate at pressures of up to 1 Torr, and with a recently developed differentially pumped lens system, the pressure limit has been raised to about 10 Torr. Here, we describe the technical aspects of high-pressure XPS and discuss recent applications of this technique to oxidation and heterogeneous catalytic reactions on metal surfaces.

Bluhm, Hendrik; Havecker, Michael; Knop-Gericke, Axel; Kiskinova,Maya; Schlogl, Robert; Salmeron, Miquel

2007-12-03T23:59:59.000Z

179

Resonant soft X-ray emission spectroscopy of vanadium oxides andrelated compounds  

SciTech Connect

In today's information world, bits of data are processed by semiconductor chips, and stored in the magnetic disk drives. But tomorrow's information technology may see magnetism (spin) and semiconductivity (charge) combined in one ''spintronic'' device that exploits both charge and ''spin'' to carry data (the best of two worlds). Spintronic devices such as spin valve transistors, spin light emitting diodes, non-volatile memory, logic devices, optical isolators and ultra-fast optical switches are some of the areas of interest for introducing the ferromagnetic properties at room temperature in a semiconductor to make it multifunctional. The potential advantages of such spintronic devices will be higher speed, greater efficiency, and better stability at a reduced power consumption. This Thesis contains two main topics: In-depth understanding of magnetism in Mn doped ZnO, and our search and identification of at least six new above room temperature ferromagnetic semiconductors. Both complex doped ZnO based new materials, as well as a number of nonoxides like phosphides, and sulfides suitably doped with Mn or Cu are shown to give rise to ferromagnetism above room temperature. Some of the highlights of this work are discovery of room temperature ferromagnetism in: (1) ZnO:Mn (paper in Nature Materials, Oct issue, 2003); (2) ZnO doped with Cu (containing no magnetic elements in it); (3) GaP doped with Cu (again containing no magnetic elements in it); (4) Enhancement of Magnetization by Cu co-doping in ZnO:Mn; and (5) CdS doped with Mn, and a few others not reported in this thesis. We discuss in detail the first observation of ferromagnetism above room temperature in the form of powder, bulk pellets, in 2-3 {micro}m thick transparent pulsed laser deposited films of the Mn (< 4 at.%) doped ZnO. High-resolution transmission electron microscopy (HRTEM) and electron energy loss spectroscopy (EELS) spectra recorded from 2 to 200nm areas showed homogeneous distribution of Mn substituting for Zn a 2{sup +} state in the ZnO lattice. Ferromagnetic Resonance (FMR) technique is used to confirm the existence of ferromagnetic ordering at temperatures as high as 425K. The ab initio calculations were found to be consistent with the observation of ferromagnetism arising from fully polarized Mn 2{sup +} state. The key to observed room temperature ferromagnetism in this system is the low temperature processing, which prevents formation of clusters, secondary phases and the host ZnO from becoming n-type. The electronic structure of the same Mn doped ZnO thin films studied using XAS, XES and RIXS. revealed a strong hybridization between Mn 3d and O 2p states, which is an important characteristic of a Dilute magnetic Semiconductor (DMS). It is shown that the various processing conditions like sintering temperature, dopant concentration and the properties of precursors used for making of DMS have a great influence on the final properties. Use of various experimental techniques to verify the physical properties, and to understand the mechanism involved to give rise to ferromagnetism is presented. Methods to improve the magnetic moment in Mn doped ZnO are also described. New promising DMS materials (such as Cu doped ZnO are explored). The demonstrated new capability to fabricate powder, pellets, and thin films of room temperature ferromagnetic semiconductors thus makes possible the realization of a wide range of complex elements for a variety of new multifunctional phenomena related to Spintronic devices as well as magneto-optic components.

Schmitt, Thorsten

2004-11-01T23:59:59.000Z

180

Resonant soft X-ray emission spectroscopy of vanadium oxides andrelated compounds  

DOE Green Energy (OSTI)

In today's information world, bits of data are processed by semiconductor chips, and stored in the magnetic disk drives. But tomorrow's information technology may see magnetism (spin) and semiconductivity (charge) combined in one ''spintronic'' device that exploits both charge and ''spin'' to carry data (the best of two worlds). Spintronic devices such as spin valve transistors, spin light emitting diodes, non-volatile memory, logic devices, optical isolators and ultra-fast optical switches are some of the areas of interest for introducing the ferromagnetic properties at room temperature in a semiconductor to make it multifunctional. The potential advantages of such spintronic devices will be higher speed, greater efficiency, and better stability at a reduced power consumption. This Thesis contains two main topics: In-depth understanding of magnetism in Mn doped ZnO, and our search and identification of at least six new above room temperature ferromagnetic semiconductors. Both complex doped ZnO based new materials, as well as a number of nonoxides like phosphides, and sulfides suitably doped with Mn or Cu are shown to give rise to ferromagnetism above room temperature. Some of the highlights of this work are discovery of room temperature ferromagnetism in: (1) ZnO:Mn (paper in Nature Materials, Oct issue, 2003); (2) ZnO doped with Cu (containing no magnetic elements in it); (3) GaP doped with Cu (again containing no magnetic elements in it); (4) Enhancement of Magnetization by Cu co-doping in ZnO:Mn; and (5) CdS doped with Mn, and a few others not reported in this thesis. We discuss in detail the first observation of ferromagnetism above room temperature in the form of powder, bulk pellets, in 2-3 {micro}m thick transparent pulsed laser deposited films of the Mn (< 4 at.%) doped ZnO. High-resolution transmission electron microscopy (HRTEM) and electron energy loss spectroscopy (EELS) spectra recorded from 2 to 200nm areas showed homogeneous distribution of Mn substituting for Zn a 2{sup +} state in the ZnO lattice. Ferromagnetic Resonance (FMR) technique is used to confirm the existence of ferromagnetic ordering at temperatures as high as 425K. The ab initio calculations were found to be consistent with the observation of ferromagnetism arising from fully polarized Mn 2{sup +} state. The key to observed room temperature ferromagnetism in this system is the low temperature processing, which prevents formation of clusters, secondary phases and the host ZnO from becoming n-type. The electronic structure of the same Mn doped ZnO thin films studied using XAS, XES and RIXS. revealed a strong hybridization between Mn 3d and O 2p states, which is an important characteristic of a Dilute magnetic Semiconductor (DMS). It is shown that the various processing conditions like sintering temperature, dopant concentration and the properties of precursors used for making of DMS have a great influence on the final properties. Use of various experimental techniques to verify the physical properties, and to understand the mechanism involved to give rise to ferromagnetism is presented. Methods to improve the magnetic moment in Mn doped ZnO are also described. New promising DMS materials (such as Cu doped ZnO are explored). The demonstrated new capability to fabricate powder, pellets, and thin films of room temperature ferromagnetic semiconductors thus makes possible the realization of a wide range of complex elements for a variety of new multifunctional phenomena related to Spintronic devices as well as magneto-optic components.

Schmitt, Thorsten

2004-11-01T23:59:59.000Z

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181

Scanning transmission x-ray microscopy: A new ``looking glass`` into coal chemical structure  

SciTech Connect

This paper reports the use of scanning transmission x-ray microscopy to spatially map the chemistry of aromatic and aliphatic carbon functionalities in coal to a resolution of less than 0.1 {mu}m. Localized x-ray absorption spectroscopy recorded at the carbon K absorption edge was also used to facilitate analysis of variations in fundamental chemistry at maceral interfaces and within maceral boundaries.

Botto, R.E.; Cody, G.D.

1994-02-01T23:59:59.000Z

182

Spatial Diffusion of X-ray Emission Lines in the M87 Cooling Flow; Evidence for Absorption  

E-Print Network (OSTI)

Recent XMM-Newton observations of the cooling flow gas in M87 indicate sharply decreasing oxygen, iron and silicon abundances within $\\sim 5$ kpc of the galactic center. This result is unexpected since stellar mass loss and Type Ia supernovae are expected to produce pronounced central abundance maxima for all three elements. However, it has been suggested that many of the strong X-ray lines are optically thick and diffuse to larger radii in the cooling flow before escaping, falsifying the central abundances. We verify with radiation transfer calculations that this effect does indeed occur in the M87 cooling flow, but that it is insufficient to account for the M87 observations. We suggest that some source of continuous opacity is required to reduce the central X-ray line emission, perhaps by warm gas at $T \\sim 10^5 - 10^6$ K. The radial surface brightness profiles of X-ray resonance lines are also sensitive to turbulence in cooling flows which reduces the line center optical depths considerably. Turbulence may provide sufficient energy to continuously heat the warm absorbing gas.

William G. Mathews; David A. Buote; Fabrizio Brighenti

2001-01-30T23:59:59.000Z

183

Band alignment of InGaZnO{sub 4}/Si interface by hard x-ray photoelectron spectroscopy  

SciTech Connect

Although amorphous InGaZnO{sub 4} has intensively been studied for a semiconductor channel material of thin-film transistors in next-generation flat-panel displays, its electronic structure parameters have not been reported. In this work, the electron affinities ({chi}) and the ionization potentials (I{sub p}) of crystalline and amorphous InGaZnO{sub 4} (c-IGZO and a-IGZO) were measured using bulk-sensitive hard x-ray photoelectron spectroscopy. First, the {chi} and I{sub p} values of c-IGZO and a-IGZO thin films were estimated by aligning the Zn 2p{sub 3/2} core level energies to a literature value for ZnO, which provided {chi} = 3.90 eV and I{sub p} = 7.58 eV for c-IGZO and 4.31 eV and 7.41 eV for a-IGZO. It was also confirmed that the escape depth of the photoelectrons excited by the photon energy of 5950.2 eV is 3.3 nm for a-IGZO and large enough for directly measuring the interface electronic structure using a-IGZO/c-Si heterojunctions. It provided the valence band offset of {approx}2.3 eV, which agrees well with the above data. The present results substantiate that the a-IGZO/c-Si interface follows well the Schottky-Mott rule.

Lee, Kyeongmi; Kamiya, Toshio [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-1, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Nomura, Kenji [Frontier Research Center, Tokyo Institute of Technology, Mailbox S2-13, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Yanagi, Hiroshi [Interdisciplinary Graduate School of Medical and Engineering Material Science and Technology, University of Yamanashi, 4-4-37 Takeda, Kofu, Yamanashi 400-8510 (Japan); Ikenaga, Eiji; Sugiyama, Takeharu [Japan Synchrotron Radiation Research Institute, SPring-8, Hyogo 679-5198 (Japan); Kobayashi, Keisuke [National Institute for Materials Science, SPring-8, Hyogo 679-5148 (Japan); Hosono, Hideo [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-1, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Frontier Research Center, Tokyo Institute of Technology, Mailbox S2-13, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan)

2012-08-01T23:59:59.000Z

184

NIST: X-Ray Mass Attenuation Coefficients  

Science Conference Proceedings (OSTI)

... NIST reserves the right to charge for these data in the ... ?/? and the mass energy-absorption coefficient ... The tables cover energies of the photon (x-ray ...

2011-12-09T23:59:59.000Z

185

In situ X-ray absorption fine structure studies of a manganese dioxide electrode in a rechargeable MnO{sub 2}/Zn alkaline battery environment  

DOE Green Energy (OSTI)

Electronic and structural aspects of a MnO{sub 2} electrode in a rechargeable MnO{sub 2}/Zn battery environment have been investigated by in situ Mn K-edge X-ray absorption fine structure (XAFS). The relative amplitudes of the three major Fourier transform shells of the EXAFS (extended XAFS) function of the rechargeable MnO{sub 2} electrode in the undischarged state were found to be similar to those found for ramsdellite, a MnO{sub 2} polymorph with substantial corner-sharing linkages among the basic MnO{sub 6} octahedral units. The analyses of the background-subtracted pre-edge peaks and absorption edge regions for the nominally 1-e{sup {minus}} discharged electrode were consistent with Mn{sup 3+} as being the predominant constituent species, rather than a mixture of Mn{sup 4+} and Mn{sup 2+} sites. Furthermore, careful inspection of both the XANES (X-ray absorption near edge structure) and EXAFS indicated that the full recharge of MnO, which had been previously discharged either by a 1- or 2-equivalent corner-sharing linkages compared to the original undischarged MnO{sub 2}.

Mo, Y.; Hu, Y.; Bae, I.T.; Miller, B.; Scherson, D.A. [Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Chemistry; Antonio, M.R. [Argonne National Lab., IL (United States). Chemistry Div.

1996-12-31T23:59:59.000Z

186

End station for nanoscale magnetic materials study: Combination of scanning tunneling microscopy and soft X-ray magnetic circular dichroism spectroscopy  

SciTech Connect

We have constructed an end station for nanoscale magnetic materials study at the soft X-ray beamline HiSOR BL-14 at Hiroshima Synchrotron Radiation Center. An ultrahigh-vacuum scanning tunneling microscope (STM) was installed for an in situ characterization of nanoscale magnetic materials in combination with soft X-ray magnetic circular dichroism (XMCD) spectroscopy experiment. The STM was connected to the XMCD experimental station via damper bellows to isolate it from environmental vibrations, thus achieving efficient spatial resolution for observing Si(111) surface at atomic resolution. We performed an in situ experiment with STM and XMCD spectroscopy on Co nanoclusters on an Au(111) surface and explored its practical application to investigate magnetic properties for well-characterized nanoscale magnetic materials.

Ueno, Tetsuro; Sawada, Masahiro; Namatame, Hirofumi [Hiroshima Synchrotron Radiation Center, Hiroshima University, 2-313 Kagamiyama, Higashi-Hiroshima 739-0046 (Japan); Kishimizu, Yusuke; Kimura, Akio [Graduate School of Science, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima 739-8526 (Japan); Taniguchi, Masaki [Hiroshima Synchrotron Radiation Center, Hiroshima University, 2-313 Kagamiyama, Higashi-Hiroshima 739-0046 (Japan); Graduate School of Science, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima 739-8526 (Japan)

2012-12-15T23:59:59.000Z

187

X-ray polarization spectroscopy to study anisotropic velocity distribution of hot electrons produced by an ultra-high-intensity laser  

SciTech Connect

The anisotropy of the hot-electron velocity distribution in ultra-high-intensity laser produced plasma was studied with x-ray polarization spectroscopy using multilayer planar targets including x-ray emission tracer in the middle layer. This measurement serves as a diagnostic for hot-electron transport from the laser-plasma interaction region to the overdense region where drastic changes in the isotropy of the electron velocity distribution are observed. These polarization degrees are consistent with analysis of a three-dimensional polarization spectroscopy model coupled with particle-in-cell simulations. Electron velocity distribution in the underdense region is affected by the electric field of the laser and that in the overdense region becomes wider with increase in the tracer depth. A full-angular spread in the overdense region of 22.4 deg.{sub -2.4}{sup +5.4} was obtained from the measured polarization degree.

Inubushi, Y. [Institute of Laser Engineering, Osaka University, Suita, Osaka (Japan); Graduate School of Engineering, Osaka University, Suita, Osaka (Japan); Okano, Y.; Nishimura, H.; Cai, H.; Nagatomo, H.; Kai, T.; Fujioka, S.; Nakamura, T.; Johzaki, T.; Mima, K. [Institute of Laser Engineering, Osaka University, Suita, Osaka (Japan); Kawamura, T. [Tokyo Institute of Technology, Yokohama, Kanagawa (Japan); Batani, D.; Morace, A.; Redaelli, R. [Dipartmento di Fisica 'G. Occhialini', University of Milano-Bicocca, Milan (Italy); Fourment, C.; Santos, J. J.; Malka, G. [CELIA, Universite de Bordeaux/CNRS/CEA, Talence (France); Boscheron, A.; Bonville, O.; Grenier, J. [CEA/CESTA, Le Barp (France)

2010-03-15T23:59:59.000Z

188

X-RAY FLUORESCENCE MICROPROBE (XFM) TECHNIQUES AND CAPABILITIES  

NLE Websites -- All DOE Office Websites (Extended Search)

RAY FLUORESCENCE MICROPROBE (XFM) RAY FLUORESCENCE MICROPROBE (XFM) TECHNIQUES AND CAPABILITIES APPLICATIONS WORLD-LEADING MICROFOCUSED EXAFS SPECTROSCOPY * XFM is an optimized three-pole wiggler beamline for the characterization of materials in an "as-is" state that are chemically heterogeneous at the micrometer scale via synchrotron induced X-ray fluorescence. * XFM includes instrumentation for microbeam X-ray fluorescence (µXRF), diffraction (µXRD) and fluorescence computed microtomography (FCMT) . However, it is optimized to provide users state-of-the-art microfocused Extended X-ray Absorption Fine Structure (µEXAFS) spectroscopy between 4 to 20 keV. * XFM will trade-off beam size and flux for sample configuration flexibility. This includes more readily achievable stability

189

SYNCHROTRON X-RAY BASED CHARACTERIZATION OF CDZNTE CRYSTALS  

Science Conference Proceedings (OSTI)

Synthetic CdZnTe or 'CZT' crystals can be used for the room temperature-based detection of {gamma}-radiation. Structural/morphological heterogeneities within CZT, such as twinning, inclusions, and polycrystallinity can affect detector performance. We used a synchrotron-based X-ray technique, specifically extended X-ray absorption fine-structure (EXAFS) spectroscopy, to determine whether there are differences on a local structural level between intact CZT of high and low radiation detector performance. These studies were complemented by data on radiation detector performance and transmission IR imaging. The EXAFS studies revealed no detectable local structural differences between the two types of CZT materials.

Duff, M

2006-09-28T23:59:59.000Z

190

X-ray Imaging Workshop  

NLE Websites -- All DOE Office Websites (Extended Search)

Imaging and Spectro-microscopy: Imaging and Spectro-microscopy: the Present and the Future Stanford Synchrotron Radiation Laboratory October 8-9, 2002 Organizers: John Miao & Keith Hodgson A workshop on "X-ray Imaging and Spectro-microscopy: the Present and the Future" was held on October 8-9, 2002. This workshop, organized by John Miao (SSRL) and Keith Hodgson (SSRL) provided a forum to discuss the scientific applications of a variety of imaging and spectro-microscopic techniques, including photoemission electron microscopy (PEEM), angle resolved photoemission spectroscopy (ARPES), coherent diffraction imaging, x-ray microscopy, micro-tomography, holographic imaging, and x-ray micro-probe. Twelve invited speakers discussed the important scientific applications of these techniques, and also predicted the future scientific directions with the advance of instrumentation and x-ray sources. The workshop was well attended with over fifty registered attendees.

191

Single-crystal Raman spectroscopy and X-ray crystallography at beamline X26-C of the NSLS  

E-Print Network (OSTI)

Three-dimensional structures derived from X-ray diffraction of protein crystals provide a wealth of information. Features and interactions important for the function of macromolecules can be deduced and catalytic mechanisms postulated. Still, many questions can remain, for example regarding metal oxidation states and the interpretation of mystery density, i.e. ambiguous or unknown features within the electron density maps, especially at 2A ? resolutions typical of most macromolecular structures. Beamline X26-C at the

Deborah Stoner-ma; John M. Skinner; Dieter K. Schneider; Matt Cowan; Robert M. Sweet; Allen M. Orville

2010-01-01T23:59:59.000Z

192

X-ray Absorption Spectroscopy Study of Prototype Chemical Systems: Theory vs. Experiment  

E-Print Network (OSTI)

E. Teller, Zeitschrift Fur Physikalische Chemie-AbteilungB-Chemie Der Elementarprozesse Aufbau Der Materie 21 (5/6),Zeitschrift Fur Physikalische Chemie-Abteilung B-Chemie Der

Schwartz, Craig Philip

2010-01-01T23:59:59.000Z

193

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

E-Print Network (OSTI)

E. Teller, Zeitschrift Fur Physikalische Chemie-AbteilungB-Chemie Der Elementarprozesse Aufbau Der Materie 21 (5/6),

Schwartz, Craig P.

2010-01-01T23:59:59.000Z

194

In Situ Electrochemical X-ray Absorption Spectroscopy of Oxygen Reduction Electrocatalysis with High Oxygen Flux  

E-Print Network (OSTI)

(CE) and carbon paper/Pt working electrode (WE) were added to the pouch. (B) The PDMS pouch was very of Pt established a potential dependence of d-band vacancies.12 Later, a similar increase in white in the electrochemical environment could not investigate the effect of added O2 on the Pt structure because of the design

Frenkel, Anatoly

195

Millisecond Kinetics of Nanocrystal Cation Exchange Using Microfluidic X-ray Absorption Spectroscopy  

E-Print Network (OSTI)

nanocrystal with DDA, R CdSe was calculated to be 3.4 nm. Rto measure the kinetics of the CdSe-to-Ag 2 Se nanocrystalthe millisecond mixing of CdSe nanocrystal and Ag + reactant

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

2007-01-01T23:59:59.000Z

196

Identification of Mn site in Pb(Zr,Ti)O{sub 3} by synchrotron x-ray absorption near-edge structure: Theory and experiment  

SciTech Connect

Synchrotron x-ray absorption near-edge structure (XANES) experiments are performed on Mn-doped PbZr{sub 1-x}Ti{sub x}O{sub 3} samples (PZT) and compared with first-principles XANES simulations. The features of the measured Mn K-edge XANES are consistent with the first-principles XANES of Mn on the Ti/Zr site and inconsistent with Mn on other sites. The clear agreement between measured and first-principles theoretical XANES spectra reported here is by far the strongest evidence of Mn substituting for Ti/Zr in PZT. This work illustrates that a first-principles supercell framework, which is popularly used to study impurities in crystals, can be used in conjunction with XANES measurement in order to identify an impurity structure with a high degree of confidence. This approach may thus be broadly applicable to study impurities in other crystals.

Limpijumnong, Sukit; Rujirawat, Saroj; Boonchun, Adisak; Smith, M. F.; Cherdhirunkorn, B. [National Synchrotron Research Center, Nakhon Ratchasima 30000, Thailand and School of Physics, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); National Synchrotron Research Center, Nakhon Ratchasima 30000 (Thailand); Department of Physics, Thammasat University, Patum Thani 12121 (Thailand)

2007-03-05T23:59:59.000Z

197

Al K-edge near-edge X-ray absorption fine structure (NEXAFS) study on the coordination structure of aluminum in minerals and Y zeolites  

Science Conference Proceedings (OSTI)

Curved-wave-multiple-scattering cluster calculations with the FEFF6 code were used to interpret experimental AlK-edge near-edge X-ray absorption fine structure (NEXAFS) spectra of various minerals and Y zeolites for energies {approximately}15 eV above threshold. Octahedral, tetrahedral, and square planar geometries of Al can be easily distinguished from each other utilizing characteristic features in the NEXAFS data. NEXAFS line shapes are used for determining the geometrical conformations of Al atoms in Y zeolites with one or more conformational geometries. In the H-Y zeolite, separate contributions to the NEXAFS from tetrahedrally and octahedrally coordinated Al atoms are identified. The differences in the octahedrally coordinated Al spectra in the H-Y zeolite compared with spectra for standard octahedrally coordinated Al compounds can be attributed to the presence of very small nonregular clusters of octahedrally coordinated Al dispersed over the zeolite. However, the presence of some pentacoordinated Al cannot be excluded.

Bokhoven, J.A. van; Sambe, H.; Ramaker, D.E. [George Washington Univ., Washington, DC (United States). Chemistry Dept.; Koningsberger, D.C. [Utrecht Univ. (Netherlands)

1999-09-09T23:59:59.000Z

198

Double-core excitations in formamide can be probed by X-ray double-quantum-coherence spectroscopy  

Science Conference Proceedings (OSTI)

The attosecond, time-resolved X-ray double-quantum-coherence four-wave mixing signals of formamide at the nitrogen and oxygen K-edges are simulated using restricted excitation window time-dependent density functional theory and the excited core hole approximation. These signals, induced by core exciton coupling, are particularly sensitive to the level of treatment of electron correlation, thus providing direct experimental signatures of electron and core-hole many-body effects and a test of electronic structure theories.

Zhang Yu; Healion, Daniel; Biggs, Jason D.; Mukamel, Shaul [Department of Chemistry, University of California, 450 Rowland Hall, Irvine, California 92697 (United States)

2013-04-14T23:59:59.000Z

199

X-ray data booklet. Revision  

SciTech Connect

A compilation of data is presented. Included are properties of the elements, electron binding energies, characteristic x-ray energies, fluorescence yields for K and L shells, Auger energies, energy levels for hydrogen-, helium-, and neonlike ions, scattering factors and mass absorption coefficients, and transmission bands of selected filters. Also included are selected reprints on scattering processes, x-ray sources, optics, x-ray detectors, and synchrotron radiation facilities. (WRF)

Vaughan, D. (ed.)

1986-04-01T23:59:59.000Z

200

Chandra ACIS Survey of M33 (ChASeM33): X-ray Imaging Spectroscopy of M33SNR21, the brightest X-ray Supernova Remnant in M33  

E-Print Network (OSTI)

We present and interpret new X-ray data for M33SNR21, the brightest X-ray supernova remnant (SNR) in M33. The SNR is in seen projection against (and appears to be interacting with) the bright Hii region NGC592. Data for this source were obtained as part of the Chandra ACIS Survey of M33 (ChASeM33) 1

Terrance J. Gaetz; William P. Blair; John P. Hughes; P. Frank Winkler; Knox S. Long; Thomas G; Benjamin Williams; Richard J. Edgar; Parviz Ghavamian; Paul P. Plucinsky; Manami Sasaki; Robert P. Kirshner; Miguel Avillez; Dieter Breitschwerdt

2007-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


201

X-ray Absorption and Diffraction Studies of the Mixed-phase State of (CrxV1-x)2O3  

Science Conference Proceedings (OSTI)

X-ray diffraction and vanadium x-ray absorption near-edge structure (XANES) data have been obtained for (V{sub 1-x}Cr{sub x}){sub 2}O{sub 3} samples containing several concentrations of Cr, crossing the metal-insulator transition boundary. For single-phase single-crystal samples our theoretical results are generally in good qualitative agreement with our experimental single-crystal XANES, for both crystal orientations relative to the incident-beam electric vector. However, an anomalous peak occurs for both orientations in the K pre-edge of the single-crystal sample containing 1.2% Cr, a paramagnetic insulator sample that is in the concentration regime corresponding to the room-temperature two-phase (coexistence) region of the phase diagram. Upon increasing the temperature of the 0.4% Cr powdered material to 400 K so that one enters the two-phase region of the phase diagram, a similar peak appears and then diminishes at 600 K. These results, as well as experiments done by others involving room-temperature and low-temperature XANES of a 1.1% Cr sample, suggest that this feature in the V pre-edge structure is associated with the appearance under some circumstances of a small amount of highly distorted VO{sub 6} octahedra in the interface region between coexisting metal and insulating phases. Finally, we find that, for the two-phase regime, the concentration ratio of the metal-to-insulating phase varies between different regions from a sample batch of uniform composition made by the skull melting method.

D Pease; A Frenkel; V Krayzman; T Huang; P Shanthakumar; J Budnick; P Metcalf; F Chudnovsky; E Stern

2011-12-31T23:59:59.000Z

202

The origin of blue-shifted absorption features in the X-ray spectrum of PG 1211+143: Outflow or disc?  

E-Print Network (OSTI)

In some radio-quiet active galaxies (AGN), high-energy absorption features in the x-ray spectra have been interpreted as Ultrafast Outflows (UFOs) -- highly ionised material (e.g. Fe XXV and Fe XXVI) ejected at mildly relativistic velocities. In some cases, these outflows can carry energy in excess of the binding energy of the host galaxy. Needless to say, these features demand our attention as they are strong signatures of AGN feedback and will influence galaxy evolution. For the same reason, alternative models need to be discussed and refuted or confirmed. Gallo & Fabian proposed that some of these features could arise from resonance absorption of the reflected spectrum in a layer of ionised material located above and corotating with the accretion disc. Therefore, the absorbing medium would be subjected to similar blurring effects as seen in the disc. A priori, the existence of such plasma above the disc is as plausible as a fast wind. In this work, we highlight the ambiguity by demonstrating that the a...

Gallo, L C

2013-01-01T23:59:59.000Z

203

High-Energy Processes in Young Stars: Chandra X-ray Spectroscopy of HDE 283572, RY Tau, and LkCa 21  

E-Print Network (OSTI)

Weak-lined T Tauri stars (WTTS) represent the important stage of stellar evolution between the accretion phase and the zero-age main sequence. At this stage, the star decouples from its accretion disk, and spins up to a higher rotation rate than in the preceding classical T Tauri phase. Consequently, dynamo processes can be expected to become even stronger at this stage. High energy processes can have effects on the remaining circumstellar material, possibly including protoplanets and planetesimals, and these effects may account for certain observable properties of asteroids in the current solar system. Chandra observed for 100 ks the WTTS HDE 283572 which probes the PMS stage of massive A-type stars. We present first results of the analysis of its high-resolution X-ray spectrum obtained with the High-Energy Transmission Grating Spectrometer. A wide range of Fe lines of high ionization states are observed, indicating a continuous emission measure distribution. No significant signal is detected longward of the O \\textsc{viii} Ly$\\alpha$ line because of the high photoelectric absorption. We also report on the preliminary analysis of the zeroth order spectra of RY Tau and LkCa21. In particular, we show evidence of an emission line in RY Tau at 6.4 keV that we identify as fluorescent emission by neutral Fe caused by a strong X-ray flare which illuminated some structure in (or surrounding) the CTTS. A comparison of X-ray spectra of classical T Tau stars, other WTTS, and young main-sequence stars is made.

Marc Audard; Stephen L. Skinner; Kester W. Smith; Manuel Guedel; Roberto Pallavicini

2004-09-13T23:59:59.000Z

204

Dopant Site Determination in Iron Oxide Nanoparticles Utilizing X-ray  

NLE Websites -- All DOE Office Websites (Extended Search)

Dopant Site Determination in Iron Oxide Nanoparticles Utilizing X-ray Dopant Site Determination in Iron Oxide Nanoparticles Utilizing X-ray Absorption Techniques Monday, September 9, 2013 - 11:00am SLAC, Conference Room 137-322 Presented by Dr. Vanessa Pool The dopant behavior of spinels has been investigated for over half a century and yet new insight into this class of materials is still being made today. In this work, the question of dopant site preference is explored for the nanoparticle regime. Iron oxide nanoparticles have numerous exciting applications. To realize these applications, controlling the preferred dopant site and valence within the host material is important. X-ray Absorption Spectroscopy (XAS) and X-ray Magnetic Circular Dichroism (XMCD) are element specific techniques with magnetic contrast that give insights into the material composition. Using both

205

Assignment of near-edge x-ray absorption fine structure spectra of metalloporphyrins by means of time-dependent density-functional calculations  

Science Conference Proceedings (OSTI)

The C 1s and N 1s near-edge x-ray absorption fine structure (NEXAFS) spectra of three prototype tetraphenyl porphyrin (TPP) molecules are discussed in the framework of a combined experimental and theoretical study. We employ time-dependent density-functional theory (TDDFT) to compute the NEXAFS spectra of the open- and closed-shell metalloporphyrins CoTPP and ZnTPP as well as the free-base 2HTPP in realistic nonplanar conformations. Using Becke's well-known half-and-half hybrid functional, the computed core excitation spectra are mostly in good agreement with the experimental data in the low-energy region below the appropriate ionization threshold. To make these calculations feasible, we apply a new, simple scheme based on TDDFT using a modified single-particle input spectrum. This scheme is very easy to implement in standard codes and allows one to compute core excitation spectra at a similar cost as ordinary UV/vis spectra even for larger molecules. We employ these calculations for a detailed assignment of the NEXAFS spectra including subtle shifts in certain peaks of the N 1s spectra, which depend on the central coordination of the TPP ligand. We furthermore assign the observed NEXAFS resonances to the individual molecular subunits of the investigated TPP molecules.

Schmidt, Norman; Fink, Rainer [Department Chemie und Pharmazie, Lehrstuhl fuer Physikalische Chemie II and ICMM, Universitaet Erlangen-Nuernberg, Egerlandstrasse 3, 91058 Erlangen (Germany); Hieringer, Wolfgang [Department Chemie und Pharmazie, Lehrstuhl fuer Theoretische Chemie, Universitaet Erlangen-Nuernberg, Egerlandstrasse 3, 91058 Erlangen (Germany)

2010-08-07T23:59:59.000Z

206

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

DOE Green Energy (OSTI)

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.

Conway, B.E.; Qu, D.; McBreen, J. [Ottawa Univ., ON (Canada). Dept. of Chemistry]|[Brookhaven National Lab., Upton, NY (United States)

1992-12-31T23:59:59.000Z

207

Measurement of the valence band-offset in a PbSe/ZnO heterojunction by x-ray photoelectron spectroscopy  

SciTech Connect

A heterojunction of PbSe/ZnO has been grown by molecular beam epitaxy. X-ray photoelectron spectroscopy was used to directly measure the valence-band offset (VBO) of the heterojunction. The VBO, {Delta}E{sub V}, was determined as 2.51 {+-} 0.05 eV using the Pb 4p{sup 3/2} and Zn 2p{sup 3/2} core levels as a reference. The conduction-band offset, {Delta}E{sub C}, was, therefore, determined to be 0.59 {+-} 0.05 eV based on the above {Delta}E{sub V} value. This analysis indicates that the PbSe/ZnO heterojunction forms a type I (Straddling Gap) heterostructure.

Li Lin; Qiu Jijun; Weng Binbin; Yuan Zijian; Shi Zhisheng [School of Electrical and Computer Engineering, University of Oklahoma, Norman, Oklahoma 73019 (United States); Li Xiaomin; Gan Xiaoyan [State Key Laboratory of High Performance Ceramics and Superfine Microstructures, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Sellers, Ian R. [Deparment of Physics, University of Oklahoma, Norman, Oklahoma 73019 (United States)

2012-12-24T23:59:59.000Z

208

Chandra ACIS Survey of M33 (ChASeM33): X-ray Imaging Spectroscopy of M33SNR21, the Brightest X-ray Supernova Remnant in M33  

E-Print Network (OSTI)

We present and interpret new X-ray data for M33SNR21, the brightest X-ray supernova remnant (SNR) in M33. The SNR is in seen projection against (and appears to be interacting with) the bright HII region NGC592. Data for this source were obtained as part of the Chandra ACIS Survey of M33 (ChASeM33) Very Large Project. The nearly on-axis Chandra data resolve the SNR into a ~5" diameter (20 pc at our assumed M33 distance of 817+/-58 kpc) slightly elliptical shell. The shell is brighter in the east, which suggests that it is encountering higher density material in that direction. The optical emission is coextensive with the X-ray shell in the north, but extends well beyond the X-ray rim in the southwest. Modeling the X-ray spectrum with an absorbed sedov model yields a shock temperature of 0.46(+0.01,-0.02) keV, an ionization timescale of n_e t = $2.1 (+0.2,-0.3) \\times 10^{12}$ cm$^{-3}$ s, and half-solar abundances (0.45 (+0.12, -0.09)). Assuming Sedov dynamics gives an average preshock H density of 1.7 +/- 0.3 cm$^{-3}$. The dynamical age estimate is 6500 +/- 600 yr, while the best fit $n_e t$ value and derived $n_e$ gives 8200 +/- 1700 yr; the weighted mean of the age estimates is 7600 +/- 600 yr. We estimate an X-ray luminosity (0.25-4.5 keV) of (1.2 +/- 0.2) times $10^{37}$ ergs s$^{-1}$ (absorbed), and (1.7 +/- 0.3) times $10^{37}$ ergs s$^{-1}$ (unabsorbed), in good agreement with the recent XMM-Newton determination. No significant excess hard emission was detected; the luminosity $\\le 1.2\\times 10^{35}$ ergs s$^{-1}$ (2-8 keV) for any hard point source.

Terrance J. Gaetz; William P. Blair; John P. Hughes; P. Frank Winkler; Knox S. Long; Thomas G. Pannuti; Benjamin Williams; Richard J. Edgar; Parviz Ghavamian; Paul P. Plucinsky; Manami Sasaki; Robert P. Kirshner; Miguel Avillez; Dieter Breitschwerdt

2007-06-18T23:59:59.000Z

209

X-Ray Topography  

Science Conference Proceedings (OSTI)

Sep 17, 2009 ... Stress Mapping Analysis by Ray Tracing (SMART): A New Technique ... technique of synchrotron X-ray topography, where a grid made out of...

210

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

SciTech Connect

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.

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

2011-01-12T23:59:59.000Z

211

X-ray beamsplitter  

DOE Patents (OSTI)

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.

Ceglio, Natale M. (Livermore, CA); Stearns, Daniel S. (Mountain View, CA); Hawryluk, Andrew M. (Modesto, CA); Barbee, Jr., Troy W. (Palo Alto, CA)

1989-01-01T23:59:59.000Z

212

X-ray Photoelectron Spectroscopy ofGaP_{1-x}N_x Photocorroded as a Result of Hydrogen Productionthrough Water Electrolysis  

DOE Green Energy (OSTI)

Photoelectrochemical (PEC) cells produce hydrogen gas through the sunlight driven electrolysis of water. By extracting hydrogen and oxygen from water and storing solar energy in the H-H bond, they offer a promising renewable energy technology. Addition of dilute amounts of nitrogen to III-V semiconductors has been shown to dramatically increase the stability of these materials for hydrogen production. In an effort to learn more about the origin of semiconductor photocorrosion in PEC cells, three samples of p-type GaP with varying levels of nitrogen content (0%, 0.2%, 2%) were photocorroded and examined by X-ray Photoelectron Spectroscopy (XPS). GaPN samples were observed to be more efficient during the hydrogen production process than the pure GaP samples. Sample surfaces contained gallium oxides in the form of Ga{sub 2}O{sub 3} and Ga(OH){sub 3} and phosphorus oxide (P{sub 2}O{sub 5}), as well as surface oxides from exposure to air. A significant shift in intensity from bulk to surface peaks dramatic nitrogen segregation to the surface during photoelectrochemical hydrogen production. Further investigations, including using a scanning electron microscope to investigate sample topography and inductively coupled plasma mass spectroscopy (ICP-MS) analysis for solution analyses, are under way to determine the mechanism for these changes.

Mayer, Marie A.; /Illinois U., Urbana /SLAC

2006-09-27T23:59:59.000Z

213

Raman spectroscopy and x-ray diffraction of phase transitions in Cr2O3 to 61 GPa Sang-Heon Shim*  

E-Print Network (OSTI)

Radiation Laboratory SSRL using mono- chromatic x-ray beams ( 0.4959 ? at CHESS and 0.7277 ? at SSRL

Duffy, Thomas S.

214

Strengthened lithium for x-ray blast windows  

Science Conference Proceedings (OSTI)

Lithium's high x-ray transparency makes it an attractive material for windows intended to protect soft x-ray diagnostics in high energy density experiments. Pure lithium is soft and weak, but lithium mixed with lithium hydride powder becomes harder and stronger, in principle without any additional x-ray absorption. A comparison with the standard material for x-ray windows, beryllium, suggests that lithium or lithium strengthened by lithium hydride may well be an excellent option for such windows.

Pereira, N. R. [Ecopulse Inc., P.O. Box 528, Springfield, Virginia 22150 (United States); Imam, M. A. [Materials Science and Technology Division, Naval Research Laboratory, Washington, DC 20375 (United States)

2008-05-15T23:59:59.000Z

215

Spectroscopy (XSD) | Advanced Photon Source  

NLE Websites -- All DOE Office Websites (Extended Search)

Useful Links Useful Links Spectroscopy Group (X-ray Science Division) The Spectroscopy Group operates the Sector-20 bending magnet (BM) and insertion device (ID) beamlines, and the bending magnet beamline at Sector-9. Beamlines 20-ID (Undulator A) Supported Techniques ·X-ray absorption fine structure (XAFS) ·Surface Diffraction ·X-ray Raman Scattering ·Resonant X-ray Emission Spectroscopy ·Micro-XAFS ·Confocal X-ray microscopy ·Micro-fluorescence ·Micro-XRD Discipline ·Material Science ·Environmental Science ·Chemistry Click [20-ID] under "Beamlines" above for technical information 20-BM Supported Techniques X-ray absorption fine structure (XAFS) Micro-fluorescence Micro-XAFS Micro-diffraction Discipline ·Material Science ·Environmental Science ·Chemistry Click [20-BM] under "Beamlines" above for technical information

216

X-ray generator  

DOE Patents (OSTI)

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.

Dawson, John M. (Los Angeles, CA)

1976-01-01T23:59:59.000Z

217

Applications of High Resolution X-ray Computed Tomography in ...  

Science Conference Proceedings (OSTI)

... data, including concentration profiles from x-ray absorption measurements during ... Dynamic Evolution of Liquid-liquid Phase Separation While Cooling in a

218

In situ Fe K-edge X-ray absorption fine structure of a pyrite electrode in a Li/polyethylene oxide (LiClO{sub 4})/FeS{sub 2} battery environment  

DOE Green Energy (OSTI)

Electronic and structural properties of materials generated by the reduction and subsequent oxidation of pyrite in a lithium-based solid polymer electrolyte have been examined by in situ fluorescence Fe K-edge X-ray absorption fine structure (XAFS) in a FeS{sub 2}/Li battery environment. The XAFS results obtained are consistent with the formation of metallic iron as one of the products of the full (4-electron) discharge, in agreement with information reported in other laboratories. Extended X-ray absorption fine structure (EXAFS) data reveal that a subsequent 2-electron or 4-electron recharge generates a species with a Fe-S bond distance identical to that of pyrite, d(Fe-S) = 2.259 {angstrom}, with no other clearly detectable interactions due to more distant atoms. Based on the similarities between the metrical parameters and other features in the X-ray absorption near edge structure (XANES), the ferrous sites in these species appear to be tetrahedrally coordinated, as in chalcopyrite (CuFeS{sub 2}), for which d(Fe-S) is 2.257 {angstrom}, and, thus, different than in Li{sub 2} FeS{sub 2}, a material that exhibits longer Fe-S distances.

Totir, D.; Bae, I.T.; Hu, Y.; Scherson, D.A. [Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Chemistry; Antonio, M.R. [Argonne National Lab., IL (United States). Chemistry Div.

1996-12-31T23:59:59.000Z

219

Spectroscopy  

NLE Websites -- All DOE Office Websites (Extended Search)

Spectroscopy Spectroscopy Spectroscopy Print In spectroscopy experiments, a sample is illuminated with light and the various product particles (electrons, ions, or fluorescent photons) are detected and analyzed.The unifying feature is that some "property" of a material is measured as the x-ray (photon) energy is swept though a range of values. At the most basic level, one measures the absorption, transmission, or reflectivity of a sample as a function of photon energy. Probes that use the vacuum ultraviolet (VUV) region of the spectrum (10-100 eV) are very well matched to the elucidation of bonding in solids, surfaces, and molecules; to the investigation of electron-electron correlations in solids, atoms, and ions; and to the study of reaction pathways in chemical dynamics. At the lowest end of this energy range (below 1 eV) we have infrared, far-infrared, and terahertz spectroscopies, which are well matched to vibrational modes and other modes of excitation.

220

Optical and X-ray Imaging Techniques for Material Characterization ...  

Science Conference Proceedings (OSTI)

Ultrafast X-ray and 2-dimensional UV Spectroscopy of TiO2 Nanoparticles: Majed Chergui1; 1Ecole Polytechnique Fdrale de Lausanne Mesoporous titanium...

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

High resolution soft x-ray spectroscopy of low Z K-shell emission from laser-produced plasmas  

SciTech Connect

A large radius, R = 44.3 m, High Resolution Grating Spectrometer (HRGS) with 2400 line/mm variable line spacing has been designed for laser-produced plasma experiments conducted at the Lawrence Livermore National Laboratory Jupiter Laser Facility. The instrument has been run with a low-noise, charge-coupled device detector to record high signal-to-noise spectra in the 10-50 {angstrom} wavelength range. The instrument can be run with a 10-20 {micro}m wide slit to achieve the best spectral resolving power, approaching 1000 and similar to crystal spectrometers at 12-20 {angstrom}, or in slitless operation with a small symmetrical emission source. We describe preliminary spectra emitted from various H-like and He-like low Z ion plasmas heated by 100-500 ps (FWHM), 527 nm wavelength laser pulses. This instrument can be developed as a useful spectroscopy platform relevant to laboratory-based astrophysics as well as high energy density plasma studies.

Dunn, J; Magee, E W; Shepherd, R; Chen, H; Hansen, S B; Moon, S J; Brown, G V; Gu, M; Beiersdorfer, P; Purvis, M A

2008-05-21T23:59:59.000Z

222

Kaonic Atom X?ray Spectra  

Science Conference Proceedings (OSTI)

In kaonic atoms energy displacement and broadening of states result from the strong interaction. The most simple kaonic atoms like kaonic hydrogen and deuterium open the possibility to measure this strong interaction induced shift and width by x?ray spectroscopy. In the SIDDHARTA experiment al LNF (Frascati) the DA?NE electron?positron collider delivers nearly mono?energetic negatively charged kaons from ? meson decay. This unique kaon source is used to form kaonic atoms. New high performance x?ray detectors (silicon drift detectors) arranged in an array allow x?ray spectroscopy with high energy resolution combined with timing capability. High precision x?ray measurements like SIDDHARTA at LNF will open the way to study the low energy regime of the strong force in the antikaon?nucleon interaction. The experiment and its current status is presented in this talk.

J. Marton; on behalf of the SIDDHARTA Collaboration

2009-01-01T23:59:59.000Z

223

Argonne CNM: X-Ray Microscopy Capabilities  

NLE Websites -- All DOE Office Websites (Extended Search)

X-Ray Microscopy Facilities X-Ray Microscopy Facilities 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 density. Elemental constituents can be located by using differential edge contrast in this mode. Phase contrast can be highly sensitive to edges and interfaces even when the X-ray absorption is weak. These contrast mechanisms are exploited to image samples rapidly in full-field transmission mode under various environmental conditions, or combined with nanotomography methods to study the three-dimensional structure of complex and amorphous nanomaterials with the HXN.

224

Water adsorption, solvation and deliquescence of alkali halide thin films on SiO2 studied by ambient pressure X-ray photoelectron spectroscopy  

Science Conference Proceedings (OSTI)

The adsorption of water on KBr thin films evaporated onto SiO2 was investigated as a function of relative humidity (RH) by ambient pressure X-ray photoelectron spectroscopy. At 30percent RH adsorbed water reaches a coverage of approximately one monolayer. As the humidity continues to increase, the coverage of water remains constant or increases very slowly until 60percent RH, followed by a rapid increase up to 100percent RH. At low RH a significant number of the Br atoms are lost due to irradiation damage. With increasing humidity solvation increases ion mobility and gives rise to a partial recovery of the Br/K ratio. Above 60percent RH the increase of the Br/K ratio accelerates. Above the deliquescence point (85percent RH), the thickness of the water layer continues to increase and reaches more than three layers near saturation. The enhancement of the Br/K ratio at this stage is roughly a factor 2.3 on a 0.5 nm KBr film, indicating a strong preferential segregation of Br ions to the surface of the thin saline solution on SiO2.

Arima, Kenta; Jiang, Peng; Deng, Xingyi; Bluhm, Henrik; Salmeron, Miquel

2010-03-31T23:59:59.000Z

225

X-ray photoelectron spectroscopy of negative electrodes from high-power lithium-ion cells showing various levels of power fade  

DOE Green Energy (OSTI)

High-power lithium-ion cells for transportation applications are being developed and studied at Argonne National Laboratory. The current generation of cells containing LiNi{sub 0.8}Co{sub 0.15}Al{sub 0.05}O{sub 2}-based cathodes, graphite-based anodes, and LiPF6-based electrolytes show loss of capacity and power during accelerated testing at elevated temperatures. Negative electrode samples harvested from some cells that showed varying degrees of power and capacity fade were examined by X-ray photoelectron spectroscopy (XPS). The samples exhibited a surface film on the graphite, which was thicker on samples from cells that showed higher fade. Furthermore, solvent-based compounds were dominant on samples from low power fade cells, whereas LiPF{sub 6}-based products were dominant on samples from high power fade cells. The effect of sample rinsing and air exposure is discussed. Mechanisms are proposed to explain the formation of compounds suggested by the XPS data.

Herstedt, Marie; Abraham, Daniel P.; Kerr, John B.

2004-02-28T23:59:59.000Z

226

Kinetics of the sulfur oxidation on palladium: A combined in situ x-ray photoelectron spectroscopy and density-functional study  

Science Conference Proceedings (OSTI)

We studied the reaction kinetics of sulfur oxidation on the Pd(100) surface by in situ high resolution x-ray photoelectron spectroscopy and ab initio density functional calculations. Isothermal oxidation experiments were performed between 400 and 500 K for small amounts ({approx}0.02 ML) of preadsorbed sulfur, with oxygen in large excess. The main stable reaction intermediate found on the surface is SO{sub 4}, with SO{sub 2} and SO{sub 3} being only present in minor amounts. Density-functional calculations depict a reaction energy profile, which explains the sequential formation of SO{sub 2}, SO{sub 3}, and eventually SO{sub 4}, also highlighting that the in-plane formation of SO from S and O adatoms is the rate limiting step. From the experiments we determined the activation energy of the rate limiting step to be 85 {+-} 6 kJ mol{sup -1} by Arrhenius analysis, matching the calculated endothermicity of the SO formation.

Gotterbarm, Karin; Hoefert, Oliver; Lorenz, Michael P. A.; Streber, Regine; Papp, Christian [Lehrstuhl fuer Physikalische Chemie II, Universitaet Erlangen-Nuernberg, Egerlandstr. 3, 91058 Erlangen (Germany); Luckas, Nicola; Vines, Francesc [Lehrstuhl fuer Theoretische Chemie, Universitaet Erlangen-Nuernberg, Egerlandstr. 3, 91058 Erlangen (Germany); Steinrueck, Hans-Peter [Lehrstuhl fuer Physikalische Chemie II, Universitaet Erlangen-Nuernberg, Egerlandstr. 3, 91058 Erlangen (Germany); Erlangen Catalysis Resource Center (ECRC), Universitaet Erlangen-Nuernberg, Egerlandstr. 3, 91058 Erlangen (Germany); Interdisciplinary Center for Interface Controlled Processes, Egerlandstr. 3, 91058 Erlangen (Germany); Goerling, Andreas [Lehrstuhl fuer Theoretische Chemie, Universitaet Erlangen-Nuernberg, Egerlandstr. 3, 91058 Erlangen (Germany); Interdisciplinary Center for Interface Controlled Processes, Egerlandstr. 3, 91058 Erlangen (Germany)

2012-03-07T23:59:59.000Z

227

In Situ X-Ray Probing Reveals Fingerprints of Surface Platinum Oxide  

DOE Green Energy (OSTI)

In situ x-ray absorption spectroscopy (XAS) at the Pt L{sub 3} edge is a useful probe for Pt-O interactions at polymer electrolyte membrane fuel cell (PEMFC) cathodes. We show that XAS using the high energy resolution fluorescence detection (HERFD) mode, applied to a well-defined monolayer Pt/Rh(111) sample where the bulk penetrating hard x-rays probe only surface Pt atoms, provides a unique sensitivity to structure and chemical bonding at the Pt-electrolyte interface. Ab initio multiple-scattering calculations using the FEFF8 code and complementary extended x-ray absorption fine structure (EXAFS) results indicate that the commonly observed large increase of the white-line at high electrochemical potentials on PEMFC cathodes originates from platinum oxide formation, whereas previously proposed chemisorbed oxygen-containing species merely give rise to subtle spectral changes.

Friebel, Daniel

2011-08-24T23:59:59.000Z

228

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

Science Conference Proceedings (OSTI)

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.

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

2011-01-20T23:59:59.000Z

229

Gamma Radiation & X-Rays  

NLE Websites -- All DOE Office Websites (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...

230

Optimization of the Configuration of Pixilated Detectors Based on the Shannon-Nyquist Theory for the X-Ray Spectroscopy of Hot Tokamak Plasmas  

SciTech Connect

This paper describes an optimization of the detector configuration, based on the Shannon-Nyquist theory, for two major x-ray diagnostic systems on tokamaks and stellarators: x-ray imaging crystal spectrometers and x-ray pinhole cameras. Typically, the spectral data recorded with pixilated detectors are oversampled, meaning that the same spectral information could be obtained using fewer pixels. Using experimental data from Alcator C-Mod, we quantify the degree of oversampling and propose alternate uses for the redundant pixels for additional diagnostic applications.

E. Wang, P. Beiersdorfer, M. Bitter, L.F. Delgado-Aprico, K.W. Hill and N. Pablant

2012-06-13T23:59:59.000Z

231

Optimization of the Configuration of Pixilated Detectors Based on the Sgabbib-Nyquist Theory for the X-ray Spectroscopy of Hot Tokamak Plasmas  

SciTech Connect

This paper describes an optimization of the detector configuration, based on the Shannon-Nyquist theory, for two major x-ray diagnostic systems on tokamaks and stellarators: x-ray imaging crystal spectrometers and x-ray pinhole cameras. Typically, the spectral data recorded with pixilated detectors are oversampled, meaning that the same spectral information could be obtained using fewer pixels. Using experimental data from Alcator C-Mod, we quantify the degree of oversampling and propose alternate uses for the redundant pixels for additional diagnostic applications.

: E. Wang, P. Beiersdorfer, M. Bitter, L.F. Delgado-Apricio, K.W. Hill and N. Pablant

2012-08-09T23:59:59.000Z

232

Spectroscopy  

NLE Websites -- All DOE Office Websites (Extended Search)

Spectroscopy Print Spectroscopy Print In spectroscopy experiments, a sample is illuminated with light and the various product particles (electrons, ions, or fluorescent photons) are detected and analyzed.The unifying feature is that some "property" of a material is measured as the x-ray (photon) energy is swept though a range of values. At the most basic level, one measures the absorption, transmission, or reflectivity of a sample as a function of photon energy. Probes that use the vacuum ultraviolet (VUV) region of the spectrum (10-100 eV) are very well matched to the elucidation of bonding in solids, surfaces, and molecules; to the investigation of electron-electron correlations in solids, atoms, and ions; and to the study of reaction pathways in chemical dynamics. At the lowest end of this energy range (below 1 eV) we have infrared, far-infrared, and terahertz spectroscopies, which are well matched to vibrational modes and other modes of excitation.

233

Spectroscopy  

NLE Websites -- All DOE Office Websites (Extended Search)

Spectroscopy Print Spectroscopy Print In spectroscopy experiments, a sample is illuminated with light and the various product particles (electrons, ions, or fluorescent photons) are detected and analyzed.The unifying feature is that some "property" of a material is measured as the x-ray (photon) energy is swept though a range of values. At the most basic level, one measures the absorption, transmission, or reflectivity of a sample as a function of photon energy. Probes that use the vacuum ultraviolet (VUV) region of the spectrum (10-100 eV) are very well matched to the elucidation of bonding in solids, surfaces, and molecules; to the investigation of electron-electron correlations in solids, atoms, and ions; and to the study of reaction pathways in chemical dynamics. At the lowest end of this energy range (below 1 eV) we have infrared, far-infrared, and terahertz spectroscopies, which are well matched to vibrational modes and other modes of excitation.

234

X-ray Microspectroscopy and Chemical Reactions in Soil Microsites  

Science Conference Proceedings (OSTI)

Soils provide long-term storage of environmental contaminants, which helps to protect water and air quality and diminishes negative impacts of contaminants on human and ecosystem health. Characterizing solid-phase chemical species in highly complex matrices is essential for developing principles that can be broadly applied to the wide range of notoriously heterogeneous soils occurring at the earth's surface. In the context of historical developments in soil analytical techniques, we describe applications of bulk-sample and spatially resolved synchrotron X-ray absorption spectroscopy (XAS) for characterizing chemical species of contaminants in soils, and for determining the uniqueness of trace-element reactivity in different soil microsites. Spatially resolved X-ray techniques provide opportunities for following chemical changes within soil microsites that serve as highly localized chemical micro- (or nano-)reactors of unique composition. An example of this microreactor concept is shown for micro-X-ray absorption near edge structure analysis of metal sulfide oxidation in a contaminated soil. One research challenge is to use information and principles developed from microscale soil chemistry for predicting macroscale and field-scale behavior of soil contaminants.

D Hesterberg; M Duff; J Dixon; M Vepraskas

2011-12-31T23:59:59.000Z

235

In Situ Synchrotron X-Ray Techniques for the Study of Lithium Battery Materials  

SciTech Connect

The combination of in situ X-ray diffraction (XRD) and x-ray absorption spectroscopy (XAS) is a very powerful technique in the study of lithium battery cathode materials. XRD identifies the phase changes that occur during cycling and XAS gives information on the redox charge compensation processes that occur on the transition metal oxides. Because of its element specific nature XAS can identify the occurrence of redox processes on the various cations in doped oxide cathode materials. Since XAS probes short range order and is particularly useful in the study of amorphous tin based composite oxide anode materials.

McBreen, J.; Mukerjee, S.; Yang, X. Q.; Sun, X., Ein-Eli, Y.

1998-11-01T23:59:59.000Z

236

Synchrotron X-ray Based Characterization of CdZnTe Crystals  

Science Conference Proceedings (OSTI)

Synthetic CdZnTe (CZT) crystals can be used for the room temperature-based detection of gamma radiation. Structural/morphological heterogeneities within CZT, such as secondary phases (namely, precipitates and inclusions), can negatively affect detector performance. We used a synchrotron-based x-ray technique, specifically extended x-ray absorption fine-structure (EXAFS) spectroscopy, to determine whether there are differences on a local structural level between intact CZT of high and low radiation detector performance. These studies were complemented by data on radiation detector performance and transmission infrared (IR) imaging. The EXAFS studies revealed no detectable local structural differences between the two types of CZT materials.

Duff,M.; Hunter, D.; Nuessle, P.; Black, D.; Burdette, H.; Woicik, J.; Burger, A.; Groza, M.

2007-01-01T23:59:59.000Z

237

Validity of automated x-ray photoelectron spectroscopy algorithm to determine the amount of substance and the depth distribution of atoms  

SciTech Connect

The author reports a systematic study of the range of validity of a previously developed algorithm for automated x-ray photoelectron spectroscopy analysis, which takes into account the variation in both peak intensity and the intensity in the background of inelastically scattered electrons. This test was done by first simulating spectra for the Au4d peak with gold atoms distributed in the form of a wide range of nanostructures, which includes overlayers with varying thickness, a 5 A layer of atoms buried at varying depths and a substrate covered with an overlayer of varying thickness. Next, the algorithm was applied to analyze these spectra. The algorithm determines the number of atoms within the outermost 3 {lambda} of the surface. This amount of substance is denoted AOS{sub 3{lambda}} (where {lambda} is the electron inelastic mean free path). In general the determined AOS{sub 3{lambda}} is found to be accurate to within {approx}10-20% depending on the depth distribution of the atoms. The algorithm also determines a characteristic length L, which was found to give unambiguous information on the depth distribution of the atoms for practically all studied cases. A set of rules for this parameter, which relates the value of L to the depths where the atoms are distributed, was tested, and these rules were found to be generally valid with only a few exceptions. The results were found to be rather independent of the spectral energy range (from 20 to 40 eV below the peak energy) used in the analysis.

Tougaard, Sven [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense M DK-5230 (Denmark)

2013-05-15T23:59:59.000Z

238

X-ray diffraction analysis and scanning micro-Raman spectroscopy of structural irregularities and strains deep inside the multilayered InGaN/GaN heterostructure  

SciTech Connect

High-resolution X-ray diffraction analysis and scanning confocal Raman spectroscopy are used to study the spatial distribution of strains in the In{sub x}Ga{sub 1-x}N/GaN layers and structural quality of these layers in a multilayered light-emitting diode structure produced by metal-organic chemical vapor deposition onto (0001)-oriented sapphire substrates. It is shown that elastic strains almost completely relax at the heterointerface between the thick GaN buffer layer and In{sub x}Ga{sub 1-x}N/GaN buffer superlattice. It is established that the GaN layers in the superlattice are in a stretched state, whereas the alloy layers are in a compressed state. In magnitude, the stretching strains in the GaN layers are lower than the compressive strains in the InGaN layers. It is shown that, as compared to the buffer layers, the layers of the superlattice contain a smaller number of dislocations and the distribution of dislocations is more randomly disordered. In micro-Raman studies on scanning through the thickness of the multilayered structure, direct evidence is obtained for the asymmetric gradient distributions of strains and crystal imperfections of the epitaxial nitride layers along the direction of growth. It is shown that the emission intensity of the In{sub x}Ga{sub 1-x}N quantum well is considerably (more than 30 times) higher than the emission intensity of the GaN barrier layers, suggesting the high efficiency of trapping of charge carriers by the quantum well.

Strelchuk, V. V., E-mail: Strelch@isp.kiev.ua; Kladko, V. P.; Avramenko, E. A.; Kolomys, O. F.; Safryuk, N. V.; Konakova, R. V. [National Academy of Sciences of Ukraine, Lashkaryov Institute of Semiconductor Physics (Ukraine); Yavich, B. S., E-mail: byavich@soptel.ru [ZAO Svetlana-Optoelectronics (Russian Federation); Valakh, M. Ya.; Machulin, V. F.; Belyaev, A. E. [National Academy of Sciences of Ukraine, Lashkaryov Institute of Semiconductor Physics (Ukraine)

2010-09-15T23:59:59.000Z

239

X-ray microtomography  

SciTech Connect

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.

Landis, Eric N., E-mail: landis@maine.edu [Department of Civil and Environmental Engineering, University of Maine, 5711 Boardman Hall, Orono, Maine 04469 (United States); Keane, Denis T., E-mail: dtkeane@northwestern.edu [Department of Materials Science and Engineering, Northwestern University (United States); DND-CAT, Advanced Photon Source, Argonne National Laboratory, Bldg. 432/A002, 9700 S. Cass Ave, Argonne, Illinois 60439 (United States)

2010-12-15T23:59:59.000Z

240

Soft x-ray microanalysis and microscopy: A unique probe of the organic chemistry of heterogeneous solids  

SciTech Connect

STXM and C-NEXAFS (carbon near edge absorption micro-spectroscopy) microanalysis were used to analysis the microchemistry of cokes and highly carbonaceous materials. The issue of molecular orientation is addressed by using the intrinsic polarization of the x-ray beam at X1A beamline at NSLS.

Cody, G.D.; Botto, R.E. [Argonne National Lab., IL (United States); Ade, H. [North Carolina State Univ., Raleigh, NC (United States). Dept. of Physics; Wirick, S. [SUNY at Stony Brook, NY (United States). Dept. of Physics; Davis, A.; Mitchell, G. [Pennsylvania State Univ., University Park, PA (United States). Coal and Organic Petrology Labs.

1995-08-01T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


241

Introduction to Neutron and X-Ray Scattering  

NLE Websites -- All DOE Office Websites (Extended Search)

Scattering Studies of Thin Scattering Studies of Thin Polymer Films Introduction to Neutron and X-Ray Scattering Sunil K. Sinha UCSD/LANL Acknowledgements: Prof. R.Pynn( Indiana U.) Prof. M.Tolan (U. Dortmund) Wilhelm Conrad Röntgen 1845-1923 1895: Discovery of X-Rays 1901 W. C. Röntgen in Physics for the discovery of x-rays. 1914 M. von Laue in Physics for x-ray diffraction from crystals. 1915 W. H. Bragg and W. L. Bragg in Physics for crystal structure determination. 1917 C. G. Barkla in Physics for characteristic radiation of elements. 1924 K. M. G. Siegbahn in Physics for x-ray spectroscopy. 1927 A. H. Compton in Physics for scattering of x-rays by electrons. 1936 P. Debye in Chemistry for diffraction of x-rays and electrons in gases.

242

Linear-response and real-time time-dependent density functional theory studies of core-level near-edge x-ray absorption  

Science Conference Proceedings (OSTI)

We discuss our implementation and application of time-dependent density functional theory (TDDFT) to core-level near-edge absorption spectroscopy, using both linear-response (LR) and real-time (RT) approaches. We briefly describe our restricted window TDDFT (REWTDDFT) approach for core excitations which has also been reported by others groups. This is followed by a detailed discussion of real-time TDDFT techniques tailored to core excitations, including obtaining spectral information through delta-function excitation, post-processing time-dependent signals, and resonant excitation through quasi-monochromatic excitation. We present results for the oxygen K-edge of water and carbon dioxide; the carbon K-edge of carbon dioxide; the ruthenium L3-edge for the hexaamminerutheium(III) ion, including scalar relativistic corrections via the zeroth order regular approximation (ZORA); and the carbon and fluorine K-edges for a series of fluorobenzenes. In all cases, the calculated spectra are found to be in good agreement with experiment, requiring only a uniform shift on the order of a few percent. Real-time TDDFT visualization of excited state charge densities are used to visually examine the nature of each excitation, which gives insight into the effects of atoms bound to the absorbing center.

Lopata, Kenneth A.; Van Kuiken, Benjamin E.; Khalil, Munira; Govind, Niranjan

2012-09-03T23:59:59.000Z

243

Development of soft x-ray time-resolved photoemission spectroscopy system with a two-dimensional angle-resolved time-of-flight analyzer at SPring-8 BL07LSU  

Science Conference Proceedings (OSTI)

We have developed a soft x-ray time-resolved photoemission spectroscopy system using synchrotron radiation (SR) at SPring-8 BL07LSU and an ultrashort pulse laser system. Two-dimensional angle-resolved measurements were performed with a time-of-flight-type analyzer. The photoemission spectroscopy system is synchronized to light pulses of SR and laser using a time control unit. The performance of the instrument is demonstrated by mapping the band structure of a Si(111) crystal over the surface Brillouin zones and observing relaxation of the surface photo-voltage effect using the pump (laser) and probe (SR) method.

Ogawa, Manami; Yamamoto, Susumu; Nakamura, Fumitaka; Yukawa, Ryu; Fukushima, Akiko; Harasawa, Ayumi; Kakizaki, Akito; Matsuda, Iwao [Institute for Solid State Physics, University of Tokyo, 5-1-5 Kashiwanoha, Chiba 277-8581 (Japan); Kousa, Yuka; Kondoh, Hiroshi [Department of Chemistry, Keio University, Yokohama 223-8522 (Japan); Tanaka, Yoshihito [RIKEN/SPring-8 Center, 1-1-1, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan)

2012-02-15T23:59:59.000Z

244

X-ray photoelectron spectroscopy and structural analysis of amorphous SiO{sub x}N{sub y} films deposited at low temperatures  

Science Conference Proceedings (OSTI)

We establish, using a tetrahedral model, the bonding properties of amorphous silicon oxynitride (a-SiO{sub x}N{sub y}) films deposited at low temperatures (LTs) by electron-cyclotron resonance chemical-vapor deposition (ECRCVD) on several substrates and under various conditions of gas flows and total gas pressure in a dilute mixture of SiH{sub 4}+N{sub 2} in Ar. The atomic percentage of each tetrahedral unit incorporated in the film network is calculated from the deconvolution of the high-resolution x-ray photoelectron spectroscopy (XPS) spectra in the Si 2p{sub 3/2} region and corroborated by the results obtained from both survey scans and the high-resolution XPS spectra in the N 1s region. The Si{sub 3}N{sub 4} phase is the most important one and the only bonding unit which is incorporated in all our LT ECRCVD SiO{sub x}N{sub y} films. The incorporation of all the other component tetrahedrons depends strongly on growth conditions. The threshold values of the N/Si atomic ratio for which intrinsic defects, such as Si-Si bonds, are not incorporated in the network depend on the O/Si ratio incorporated in the films, mainly due to the competition between oxygen and nitrogen atoms in their reaction with silicon dangling bonds. The effect of the total gas pressure on the atomic percentages of the oxidation states present in the LT ECRCVD SiO{sub x}N{sub y} films is qualitatively similar to the effect of the ion bombarding energy or the plasma density. O-N bonds are present only in samples having high amount of oxygen and nitrogen in their networks. For these films, our results show unambiguously the presence of the N-Si{sub 2}O tetrahedron and suggest that N-Si{sub 3-{nu}}O{sub {nu}} tetrahedrons with {nu}{>=}2 are not incorporated in their networks. A correlation is observed between the N-Si{sub 2}O and the Si-O{sub 3}(ON) tetrahedrons whose component peak is localized at (104.0{+-}0.2) eV in the Si 2p{sub 3/2} region of the XPS data, which suggests that both bonding units coexist in these films as some sort of complex bonding configuration.

Cova, P.; Poulin, S.; Masut, R.A. [Departmento de Fisica, Laboratorio de Simulacion de Dispositivos Semiconductores, Universidad de Oriente, Apartado 124, Cumana 6101, Sucre (Venezuela); Regroupement Quebecois sur les Materiaux de Pointe (RQMP) and Departement de Genie Physique, Ecole Polytechnique, C.P. 6079, succ. Centre-ville, Montreal, Quebec H3C 3A7 (Canada)

2005-11-01T23:59:59.000Z

245

Fluctuation X-Ray Scattering  

SciTech Connect

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

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

2013-01-25T23:59:59.000Z

246

X-ray Security Screening  

Science Conference Proceedings (OSTI)

National and International Standards for X-ray Security Screening Applications. Summary: The primary objective of this ...

2013-03-13T23:59:59.000Z

247

Tunable X-ray source  

DOE Patents (OSTI)

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.

Boyce, James R. (Williamsburg, VA)

2011-02-08T23:59:59.000Z

248

Picosecond X-ray Absorption Spectroscopy of a Photoinduced Iron(II) Spin Crossover Reaction in Solution  

E-Print Network (OSTI)

}@scl.sztaki.hu Keywords: Applications: (bio)chemical kinetics, reaction kinetic systems, mass action kinet- ics chemical reactions, reaction kinetic systems are the main building blocks of highly interconnected equations which are kinetic) was solved in [5]. It is known from the "fun- damental dogma of chemical

249

Dissimilar behavior of technetium and rhenium in borosilicate waste glass as determined by X-ray absorption spectroscopy  

E-Print Network (OSTI)

N. R. ; LaMont, P. E. "Hanford immobilized low-activity tankstudies with simulated Hanford low-activity waste," PNNL-Darab, J. G. ; Smith, H. D. "Hanford tank waste simulants

Lukens, Wayne W.; McKeown, David A.; Buechele, Andrew C.; Muller, Isabelle S.; Shuh, David K.; Pegg, Ian L.

2006-01-01T23:59:59.000Z

250

Low-Dimensional Water on Ru(0001); Model System for X-ray Absorption Spectroscopy Studies of Liquid Water  

E-Print Network (OSTI)

geometries other than ice and gas-phase. This approach has1-4 . In its condensed ice Ih phase each water molecule is150 K. Spectra of gas phase and ice 5, 15, 16 are shown as

Nordlund, D.

2009-01-01T23:59:59.000Z

251

Real-time x-ray absorption spectroscopy of uranium, iron, and manganese in contaminated sediments during bioreduction  

E-Print Network (OSTI)

National Synchrotron Light Source (NSLS, Brookhaven NationalSynchrotron Light Source (NSLS), Brookhaven Nationalof Georgia). Use of the NSLS was supported by DOE under

Tokunaga, T.K.

2008-01-01T23:59:59.000Z

252

Real-time x-ray absorption spectroscopy of uranium, iron, and manganese in contaminated sediments during bioreduction  

E-Print Network (OSTI)

13ID-C at the Advanced Photon Source (APS, Argonne NationalSector 13), Advanced Photon Source (APS), Argonne National

Tokunaga, T.K.

2008-01-01T23:59:59.000Z

253

APS 7-BM Beamline: X-Ray Resources  

NLE Websites -- All DOE Office Websites (Extended Search)

Useful Websites Useful Websites X-Ray Interactions with Matter from CRXO at LBNL. Intuitive interface for x-ray transmission and reflectivity for a wide range of materials. X-Ray Data Booklet from LBNL. Slightly outdated in places, but many useful tables of edge energies, fluorescence lines, and crystal lattice spacings. NIST XCOM Database. Powerful database of photoelectric absorption, elastic scattering, and Compton scattering cross-sections for a wide range of materials. X-Ray Server. Maintained by Sergey Stepanov at GMCA at the APS, this website has several powerful calculators for simulating x-ray reflection and diffraction. Software X-Ray Oriented Programs (XOP). This program, written by scientists at the ESRF and APS, is widely used in the synchrotron research community.

254

Combined use of hard X-ray phase contrast imaging and X-ray fluorescence microscopy for sub-cellular metal quantification  

E-Print Network (OSTI)

Combined use of hard X-ray phase contrast imaging and X-ray fluorescence microscopy for subSurface Science Laboratory at the European Synchrotron Radiation Facility, Grenoble, France Abstract Hard X of the details of cells are undetectable in hard X-ray microscopy due to the weak absorption contrast between

Paris-Sud XI, Université de

255

Scanning x-ray microscope  

Science Conference Proceedings (OSTI)

A scanning x-ray microscope is described including: an x-ray source capable of emitting a beam of x-rays; a collimator positioned to receive the beam of x-rays and to collimate this beam, a focusing cone means to focus the beam of x-rays, directed by the collimator, onto a focal plane, a specimen mount for supporting a specimen in the focal plane to receive the focused beam of x-rays, and x-ray beam scanning means to relatively move the specimen and the focusing cone means and collimator to scan the focused x-ray beam across the specimen. A detector is disposed adjacent the specimen to detect flourescent photons emitted by the specimen upon exposure to the focused beam of x-rays to provide an electrical output representative of this detection. Means are included for displaying and/or recording the information provided by the output from the detector, as are means for providing information to the recording and/or display means representative of the scan rate and position of the focused x-ray beam relative to the specimen whereby the recording and/or display means can correlate the information received to record and/or display quantitive and distributive information as to the quantity and distribution of elements detected in the specimen. Preferably there is provided an x-ray beam modulation means upstream, relative to the direction of emission of the xray beam, of the focusing cone means.

Wang, C.

1982-02-23T23:59:59.000Z

256

Photon Sciences | Beamlines | IXS: Inelastic X-ray Scattering  

NLE Websites -- All DOE Office Websites (Extended Search)

IXS: Inelastic X-ray Scattering IXS: Inelastic X-ray Scattering Poster | Fact Sheet | Preliminary Design Report Scientific Scope Many hot topics related to the high frequency dynamics of condensed matter require both a narrower and steeper resolution function and access to a broader dynamic range than what are currently available. This represents a sort of "no man's land" that falls right in the dynamic gap lying between the high frequency spectroscopies, such as inelastic x-ray scattering (IXS), and the low frequency ones. New IXS spectrometers with improved energy and momentum resolutions would be required to fill this gap. To achieve this goal, a new x-ray optics concept for both the monochromatization and energy analysis of x-rays will be implemented at the NSLS-II Inelastic X-ray Scattering beamline. This solution exploits the

257

X-ray lithography source  

SciTech Connect

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.

Piestrup, Melvin A. (Woodside, CA); Boyers, David G. (Mountain View, CA); Pincus, Cary (Sunnyvale, CA)

1991-01-01T23:59:59.000Z

258

X-ray lithography source  

DOE Patents (OSTI)

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.

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

1991-12-31T23:59:59.000Z

259

VERY LARGE TELESCOPE/X-SHOOTER SPECTROSCOPY OF THE CANDIDATE BLACK HOLE X-RAY BINARY MAXI J1659-152 IN OUTBURST  

SciTech Connect

We present the optical to near-infrared spectrum of MAXI J1659-152 during the onset of its 2010 X-ray outburst. The spectrum was obtained with X-shooter on the ESO Very Large Telescope early in the outburst simultaneous with high-quality observations at both shorter and longer wavelengths. At the time of the observations, the source was in the low-hard state. The X-shooter spectrum includes many broad ({approx}2000 km s{sup -1}), double-peaked emission profiles of H, He I, and He II, characteristic signatures of a low-mass X-ray binary during outburst. We detect no spectral signatures of the low-mass companion star. The strength of the diffuse interstellar bands results in a lower limit to the total interstellar extinction of A{sub V} {approx_equal} 0.4 mag. Using the neutral hydrogen column density obtained from the X-ray spectrum we estimate A{sub V} {approx_equal} 1 mag. The radial velocity structure of the interstellar Na I D and Ca II H and K lines results in a lower limit to the distance of {approx}4 {+-} 1 kpc, consistent with previous estimates. With this distance and A{sub V} , the dereddened spectral energy distribution represents a flat disk spectrum. The two 10 minute X-shooter spectra show significant variability in the red wing of the emission-line profiles, indicating a global change in the density structure of the disk, though on a timescale much shorter than the typical viscous timescale of the disk.

Kaur, Ramanpreet; Kaper, Lex; Ellerbroek, Lucas E.; Russell, David M.; Altamirano, Diego; Wijnands, Rudy; Yang Yijung; Van der Horst, Alexander; Van der Klis, Michiel [Astronomical Institute 'Anton Pannekoek', University of Amsterdam, Science Park 904, 1098 XH Amsterdam (Netherlands); D'Avanzo, Paolo [INAF, Osservatorio Astronomico di Brera, via E. Bianchi 46, 23807 Merate (Italy); De Ugarte Postigo, Antonio; Fynbo, Johan P. U. [Dark Cosmology Centre, Niels Bohr Institute, Juliane Maries Vej 30, Copenhagen 2100 (Denmark); Flores, Hector [GEPI, Paris Observatory, CNRS, University of Paris-Diderot, 5 Place Jules Janssen, 92195 Meudon (France); Goldoni, Paolo [Laboratoire Astroparticule et Cosmologie, 10 rue A. Domon et L. Duquet, 75205 Paris Cedex 13 (France); Thoene, Christina C. [IAA-CSIC, Glorieta de la Astronomia s/n, 18008 Granada (Spain); Kouveliotou, Chryssa [Space Science Office, VP62, NASA/Marshall Space Flight Center, Huntsville, AL 35812 (United States); Wiersema, Klaas [Department of Physics and Astronomy, University of Leicester, University Road, Leicester LE1 7RH (United Kingdom); Kuulkers, Erik, E-mail: r.kaur@uva.nl [European Space Agency, European Space Astronomy Centre, P.O. Box 78, 28691 Villanueva de la Canada, Madrid (Spain)

2012-02-20T23:59:59.000Z

260

Broadband high resolution X-ray spectral analyzer  

DOE Patents (OSTI)

A broad bandwidth high resolution x-ray fluorescence spectrometer has a performance that is superior in many ways to those currently available. It consists of an array of 4 large area microcalorimeters with 95% quantum efficiency at 6 keV and it produces x-ray spectra between 0.2 keV and 7 keV with an energy resolution of 7 to 10 eV. The resolution is obtained at input count rates per array element of 10 to 50 Hz in real-time, with analog pulse processing and thermal pile-up rejection. This performance cannot be matched by currently available x-ray spectrometers. The detectors are incorporated into a compact and portable cryogenic refrigerator system that is ready for use in many analytical spectroscopy applications as a tool for x-ray microanalysis or in research applications such as laboratory and astrophysical x-ray and particle spectroscopy.

Silver, Eric H. (Berkeley, CA); Legros, Mark (Berkeley, CA); Madden, Norm W. (Livermore, CA); Goulding, Fred (Lafayette, CA); Landis, Don (Pinole, CA)

1998-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


261

Broadband high resolution X-ray spectral analyzer  

DOE Patents (OSTI)

A broad bandwidth high resolution X-ray fluorescence spectrometer has a performance that is superior in many ways to those currently available. It consists of an array of 4 large area microcalorimeters with 95% quantum efficiency at 6 keV and it produces X-ray spectra between 0.2 keV and 7 keV with an energy resolution of 7 to 10 eV. The resolution is obtained at input count rates per array element of 10 to 50 Hz in real-time, with analog pulse processing and thermal pile-up rejection. This performance cannot be matched by currently available X-ray spectrometers. The detectors are incorporated into a compact and portable cryogenic refrigerator system that is ready for use in many analytical spectroscopy applications as a tool for X-ray microanalysis or in research applications such as laboratory and astrophysical X-ray and particle spectroscopy. 6 figs.

Silver, E.H.; Legros, M.; Madden, N.W.; Goulding, F.; Landis, D.

1998-07-07T23:59:59.000Z

262

Adsorption and decomposition of Ru{sub 3}(CO){sub 9}(CH{sub 3}CN){sub 3} at platinum surfaces: An X-ray photoelectron spectroscopy and Fourier transform-infrared spectroscopy study  

Science Conference Proceedings (OSTI)

The direct methanol fuel cell (DMFC) is an attractive power source for mobile applications due to the high-energy density of methanol, the portability and ease of distribution of liquid rather than gaseous fuel, and elimination of the need for a bulky, power-consuming fuel reformer. There are several factors limiting the power output of polymer electrolyte DMFCs. One of the major factors is the slow kinetics of the methanol electrooxidation reaction on the conventional platinum catalyst material. A CH{sub 3}CN-modified triruthenium carbonyl cluster, Ru{sub 3}(CO){sub 9}(CH{sub 3}CN){sub 3}(I), has been adsorbed on platinum and platinum oxide surfaces from dichloromethane solutions. The modified surface has been characterized by X-ray photoelectron spectroscopy (XPS) and polarized grazing angle Fourier transform-infrared (FT-IR) microscopy. The proposed mechanism for the adsorption of I involves the chemisorption of the metal cluster at the platinum surface by losing the acetonitrile ligand. The original cluster, Ru{sub 3}(CO){sub 12}, could not be adsorbed under the same experimental conditions used for cluster I. The cluster-modified surface was treated with hydrogen for the reduction of the cluster to its metallic state on the Pt surface. This was done at different temperatures. The XPS results show the formation of a complex Ru-RuO{sub 2}-RuO{sub 3}/Pt surface.

Fachini, E.R.; Cabrera, C.R. [Univ. of Puerto Rico, San Juan (Puerto Rico). Dept. of Chemistry

1999-02-02T23:59:59.000Z

263

X-Ray Scattering Group, Condensed Matter Physics & Materials...  

NLE Websites -- All DOE Office Websites (Extended Search)

D.F. Inelastic x-ray scattering investigations of lattice dynamics in SmFeAsO1-xFy superconductors. Proceedings of The 9th International Conference on Spectroscopies in Novel...

264

Miniature x-ray source  

DOE Patents (OSTI)

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.

Trebes, James E. (Livermore, CA); Stone, Gary F. (Livermore, CA); Bell, Perry M. (Tracy, CA); Robinson, Ronald B. (Modesto, CA); Chornenky, Victor I. (Minnetonka, MN)

2002-01-01T23:59:59.000Z

265

X-ray compass for determining device orientation  

DOE Patents (OSTI)

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.

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

1999-06-15T23:59:59.000Z

266

X-ray compass for determining device orientation  

DOE Patents (OSTI)

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.

Da Silva, Luiz B. (Danville, CA); Matthews, Dennis L. (Moss Beach, CA); Fitch, Joseph P. (Livermore, CA); Everett, Matthew J. (Pleasanton, CA); Colston, Billy W. (Livermore, CA); Stone, Gary F. (Livermore, CA)

1999-01-01T23:59:59.000Z

267

Two-temperature accretion flows in magnetic cataclysmic variables: Structures of post-shock emission regions and X-ray spectroscopy  

E-Print Network (OSTI)

We use a two-temperature hydrodynamical formulation to determine the temperature and density structures of the post-shock accretion flows in magnetic cataclysmic variables (mCVs) and calculate the corresponding X-ray spectra. The effects of two-temperature flows are significant for systems with a massive white dwarf and a strong white-dwarf magnetic field. Our calculations show that two-temperature flows predict harder keV spectra than one-temperature flows for the same white-dwarf mass and magnetic field. This result is insensitive to whether the electrons and ions have equal temperature at the shock but depends on the electron-ion exchange rate, relative to the rate of radiative loss along the flow. White-dwarf masses obtained by fitting the X-ray spectra of mCVs using hydrodynamic models including the two-temperature effects will be lower than those obtained using single-temperature models. The bias is more severe for systems with a massive white dwarf.

Saxton, C; Cropper, M; Ramsay, G; Saxton, Curtis; Wu, Kinwah; Cropper, Mark; Ramsay, Gavin

2005-01-01T23:59:59.000Z

268

X-RAY PHOTOELECTRON SPECTROSCOPY OF X RAY ...  

Science Conference Proceedings (OSTI)

... NANOMATERIALS GRAPHENE AND III-V INTERFACES RM Wallace RM Wallace ... Conclusions 29 Page 30. Graphene at a Crossroads ...

2013-03-29T23:59:59.000Z

269

Soft X-Ray Spectroscopic Study of Dense Strontium-Doped Lanthanum Manganite Cathodes for Solid Oxide Fuel Cell Applications  

Science Conference Proceedings (OSTI)

The evolution of the Mn charge state, chemical composition, and electronic structure of La{sub 0.8}Sr{sub 0.2}MnO{sub 3} (LSMO) cathodes during the catalytic activation of solid oxide fuel cell (SOFC) has been studies using X-ray spectroscopy of as-processed, exposed, and activated dense thin LSMO films. Comparison of O K-edge and Mn L{sub 3,2}-edge X-ray absorption spectra from the different stages of LSMO cathodes revealed that the largest change after the activation occurred in the Mn charge state with little change in the oxygen environment. Core-level X-ray photoemission spectroscopy and Mn L{sub 3} resonant photoemission spectroscopy studies of exposed and as-processed LSMO determined that the SOFC environment (800 C ambient pressure of O{sub 2}) alone results in La deficiency (severest near the surface with Sr doping >0.55) and a stronger Mn{sup 4+} contribution, leading to the increased insulating character of the cathode prior to activation. Meanwhile, O K-edge X-ray absorption measurements support Sr/La enrichment nearer the surface, along with the formation of mixed Sr{sub x}Mn{sub y}O{sub z} and/or passive MnO{sub x} and SrO species.

L Piper; A Preston; S Cho; A DeMasi; J Laverock; K Smith; L Miara; J Davis; S Basu; et al.

2011-12-31T23:59:59.000Z

270

Soft X-ray Spectroscopy of C60/Copper Phthalocyanine/MoO3 Interfaces: Role of Reduced MoO3 on Energetic Band Alignment and Improved Performance  

Science Conference Proceedings (OSTI)

The interfacial electronic structure of C{sub 60}/copper phthalocyanine (CuPc)/molybdenum trioxide (MoO{sub 3}) thin films grown in situ on indium tin oxide (ITO) substrates has been studied using synchrotron radiation-excited photoelectron spectroscopy in an attempt to understand the influence of oxide interlayers on the performance of small molecule organic photovoltaic devices. The MoO{sub 3} layer on ITO is found to significantly increase the work function of the substrate and induces large interface dipoles and band bending at the CuPc/MoO{sub 3} interface. The large band bending confirms the formation of an internal potential that assists hole extraction from the CuPc layer to the electrode. The electronic structure of the MoO{sub 3} layer on ITO was also examined using various soft X-ray spectroscopies to probe the conductive nature of the MoO{sub 3} thin film.

S Cho; L Piper; A DeMasi; A Preston; K Smith; K Chauhan; R Hatton; T Jones

2011-12-31T23:59:59.000Z

271

Design Concept and Performance of the Soft X-ray Beamline HiSOR-BL14  

SciTech Connect

The soft X-ray beamline HiSOR-BL14 has been constructed at Hiroshima Synchrotron Radiation Center, aimed at absorption spectroscopy and photoelectron spectroscopy with linearly and circularly polarized light. The beamline layout is based on a Dragon-type design with a spherical grating monochromator. The beamline is able to accept synchrotron radiation from the bending magnet part of the HiSOR ring with a wide solid angle. The large horizontal angular acceptance and vertical one contribute to high photon flux and controllability of light polarization, respectively. Our performance test indicates that high resolving power has been achieved with sufficient photon flux to carry out spectroscopic experiments.

Sawada, M.; Namatame, H. [Hiroshima Synchrotron Radiation Center, Hiroshima University, Kagamiyama 2-313, Higashi-Hiroshima, Hiroshima 739-0046 (Japan); Yaji, K. [Institute for Solid State Physics, University of Tokyo, Kashiwanoha 5-1-5, Kashiwa, Chiba 277-8581 (Japan); Nagira, M.; Kimura, A.; Taniguchi, M. [Graduate School of Science, Hiroshima University, Kagamiyama 1-3-1, Higashi-Hiroshima, Hiroshima 739-0046 (Japan)

2007-01-19T23:59:59.000Z

272

Electronic structure of delta-doped La:SrTiO{sub 3} layers by hard x-ray photoelectron spectroscopy  

Science Conference Proceedings (OSTI)

We have employed hard x-ray photoemission (HAXPES) to study a delta-doped SrTiO{sub 3} layer that consisted of a 3-nm thickness of La-doped SrTiO{sub 3} with 6% La embedded in a SrTiO{sub 3} film. Results are compared to a thick, uniformily doped La:SrTiO{sub 3} layer. We find no indication of a band offset for the delta-doped layer, but evidence of the presence of Ti{sup 3+} in both the thick sample and the delta-layer, and indications of a density of states increase near the Fermi energy in the delta-doped layer. These results further demonstrate that HAXPES is a powerful tool for the non-destructive investigation of deeply buried doped layers.

Kaiser, A. M. [Department of Physics, University of California, Davis, California 95616 (United States); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Peter-Gruenberg-Institut PGI-6, Forschungszentrum Juelich, 52425 Juelich (Germany); Gray, A. X. [Department of Physics, University of California, Davis, California 95616 (United States); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Conti, G.; Fadley, C. S. [Department of Physics, University of California, Davis, California 95616 (United States); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Jalan, B. [Materials Department, University of California, Santa Barbara, California 93106-5050 (United States); Department of Chemical Engineering and Materials Science, University of Minnesota, Twin Cities, Minnesota 55455 (United States); Kajdos, A. P.; Stemmer, S. [Materials Department, University of California, Santa Barbara, California 93106-5050 (United States); Gloskovskii, A. [Institut fuer Anorganische Chemie und Analytische Chemie, Johannes Gutenberg-Universitaet, 55099 Mainz (Germany); Ueda, S.; Yamashita, Y.; Kobayashi, K. [NIMS Beamline Station at SPring-8, National Institute for Materials Science, Hyogo 679-5148 (Japan); Drube, W. [Deutsches Elektronen-Synchrotron (DESY), Notkestrasse 85, 22607 Hamburg (Germany)

2012-06-25T23:59:59.000Z

273

A high-repetition rate scheme for synchrotron-based picosecond laser pump/x-ray probe experiments on chemical and biological systems in solution  

SciTech Connect

We present the extension of time-resolved optical pump/x-ray absorption spectroscopy (XAS) probe experiments towards data collection at MHz repetition rates. The use of a high-power picosecond laser operating at an integer fraction of the repetition rate of the storage ring allows exploitation of up to two orders of magnitude more x-ray photons than in previous schemes based on the use of kHz lasers. Consequently, we demonstrate an order of magnitude increase in the signal-to-noise of time-resolved XAS of molecular systems in solution. This makes it possible to investigate highly dilute samples at concentrations approaching physiological conditions for biological systems. The simplicity and compactness of the scheme allows for straightforward implementation at any synchrotron beamline and for a wide range of x-ray probe techniques, such as time-resolved diffraction or x-ray emission studies.

Lima, Frederico A.; Milne, Christopher J.; Amarasinghe, Dimali C. V.; Rittmann-Frank, Mercedes Hannelore; Veen, Renske M. van der; Reinhard, Marco; Pham, Van-Thai; Karlsson, Susanne; Mourik, Frank van; Chergui, Majed [Laboratoire de Spectroscopie Ultrarapide, Ecole Polytechnique Federale de Lausanne, ISIC, FSB, 1015 Lausanne (Switzerland); Johnson, Steven L.; Grolimund, Daniel; Borca, Camelia; Huthwelker, Thomas; Janousch, Markus [Swiss Light Source, Paul Scherrer Institut, 5232 Villigen (Switzerland); Abela, Rafael [SwissFEL, Paul Scherrer Institut, 5232 Villigen (Switzerland)

2011-06-15T23:59:59.000Z

274

Evolution of local structures in polycrystalline Zn1?xMgxO (0<=x<=0.15) studied by Raman spectroscopy and synchrotron x-ray pair-distribution-function analysis  

SciTech Connect

The local structures of Zn{sub 1-x}Mg{sub x}O alloys have been studied by Raman spectroscopy and by synchrotron x-ray pair-distribution-function (PDF) analysis. Within the solid solution range (0 {le} x {le} 0.15) of Zn{sub 1-x}Mg{sub x}O, the wurtzite framework is maintained with Mg homogeneously distributed throughout the wurtzite lattice. The E{sub 2}{sup high} Raman line of Zn{sub 1-x}Mg{sub x}O displays systematic changes in response to the evolution of the crystal lattice upon the Mg substitution. The redshift and broadening of the E{sub 2}{sup high} mode are explained by the expansion of hexagonal ab dimensions and compositional disorder of Zn/Mg, respectively. Synchrotron x-ray PDF analyses of Zn{sub 1-x}Mg{sub x}O reveal that the Mg atoms have a slightly reduced wurtzite parameter u and more regular tetrahedral bond distances than the Zn atoms. For both Zn and Mg, the internal tetrahedral geometries are independent of the alloy composition.

Kim, Young-Il; Page, Katharine; Limarga, Andi M.; Clarke, David R.; Seshadri, Ram (UCSB)

2008-09-18T23:59:59.000Z

275

Anomalous Small-angle Scattering with Soft X-rays at Al and Si K ...  

Science Conference Proceedings (OSTI)

Anomalous Small-angle Scattering with Soft X-rays at Al and Si K Absorption ... and Cooling Cycles in a High Strength Quenched and Tempered Structural Steel.

276

X-Ray Interactions with Matter  

DOE Data Explorer (OSTI)

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. (Taken from the abstract in OSTI Record 6131765) (Specialized Interface)

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

277

Microsoft PowerPoint - SpectroscopyTechniques_EXAFS  

NLE Websites -- All DOE Office Websites (Extended Search)

X-ray Absorption Fine Structure Spectroscopy (EXAFS) X-ray Absorption Fine Structure Spectroscopy (EXAFS) * Provides details on how x rays are absorbed by an atom at energies near X18A,B,X19A * Provides details on how x-rays are absorbed by an atom at energies near and above the core-level binding energies of that atom * Gives the modulation of an atom's x-ray absorption probability due to the chemical and physical state of the atom * Especially sensitive to the formal oxidation state, coordination chemistry, and the distances, coordination numbers, and species of the atoms immediately surrounding the selected element * Provides a practical, and relatively simple, way to determine the chemical state and local atomic structure for a selected atomic species

278

INFRARED ABSORPTION SPECTROSCOPY AND CHEMICAL KINETICS OF FREE RADICALS  

NLE Websites -- All DOE Office Websites (Extended Search)

mNAL PERFORMANCE REPORT mNAL PERFORMANCE REPORT for INFRARED ABSORPTION SPECTROSCOPY AND CHEMICAL KINETICS OF FREE RADICALS DE-FG05-85ER13439 1-AUG-1985 to 31-JUL-1994 Robert F. Curl and Graham P. Glass Principal Investigators Introduction This research was directed at the detection, monitoring, and study (by infrared absorption spectroscopy) of the chemical kinetic behavior of small free radical species thought to be important intermediates in combustion. The work typically progressed from the detection and analysis of the infrared spectrum of combustion radical to the utilization of the infrared spectrum thus obtained in the investigation of chemical kinetics of the radical species. The methodology employed was infrared kinetic spectroscopy. In this technique the radical is produced by UV flash photolysis using an excimer laser and then

279

Apparatus for obtaining an X-ray image  

DOE Patents (OSTI)

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.

Watanabe, Eiji (Tokyo, JP)

1979-01-01T23:59:59.000Z

280

Reverse engineering the ancient ceramic technology based on X-ray fluorescence spectromicroscopy  

SciTech Connect

We present results of X-ray fluorescence (XRF) microprobe analyses of ancient ceramic cross-sections aiming at deciphering the different firing protocols used for their production. Micro-focused XRF elemental mapping, Fe chemical mapping and Fe K-edge X-ray absorption near edge structure spectroscopy were performed on pre-sigillata ceramics from southern Gaul, and terra Sigillata vessels from Italy and southern Gaul. Pieces from the different workshops and regions showed significant difference in the starting clay material, clay conditioning and kiln firing condition. By contrast, sherds from the same workshop exhibited more subtle differences and possible misfirings. Understanding the precise firing conditions and protocols would allow recreation of kilns for various productions. Furthermore, evolution and modification of kiln design would shed some light on how ancient potters devised solutions to diverse technological problems they encountered.

Sciau, Philippe; Leon, Yoanna; Goudeau, Philippe; Fakra, Sirine C.; Webb, Sam; Mehta, Apurva

2011-07-06T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


281

Miniature x-ray source  

DOE Patents (OSTI)

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.

Trebes, James E. (Livermore, CA); Bell, Perry M. (Tracy, CA); Robinson, Ronald B. (Modesto, CA)

2000-01-01T23:59:59.000Z

282

Kinoform optics applied to X-ray photon correlation specroscopy  

Science Conference Proceedings (OSTI)

Moderate-demagnification higher-order silicon kinoform focusing lenses have been fabricated to facilitate small-angle X-ray photon correlation spectroscopy (XPCS) experiments. The geometric properties of such lenses, their focusing performance and their applicability for XPCS measurements are described. It is concluded that one-dimensional vertical X-ray focusing via silicon kinoform lenses significantly increases the usable coherent flux from third-generation storage-ring light sources for small-angle XPCS experiments.

Sandy, A.R.; Evans-Lutterodt, K.; Narayanan, S.; Sprung, M.; Su, J.D; Isakovic, A.F.; Stein, A.

2010-03-01T23:59:59.000Z

283

Tokamak x ray diagnostic instrumentation  

SciTech Connect

Three classes of x-ray diagnostic instruments enable measurement of a variety of tokamak physics parameters from different features of the x-ray emission spectrum. (1) The soft x-ray (1 to 50 keV) pulse-height-analysis (PHA) diagnostic measures impurity concentrations from characteristic line intensities and the continuum enhancement, and measures the electron temperature from the continuum slope. (2) The Bragg x-ray crystal spectrometer (XCS) measures the ion temperature and neutral-beam-induced toroidal rotation velocity from the Doppler broadening and wavelength shift, respectively, of spectral lines of medium-Z impurity ions. Impurity charge state distributions, precise wavelengths, and inner-shell excitation and recombination rates can also be studied. X rays are diffracted and focused by a bent crystal onto a position-sensitive detector. The spectral resolving power E/..delta..E is greater than 10/sup 4/ and time resolution is 10 ms. (3) The x-ray imaging system (XIS) measures the spatial structure of rapid fluctuations (0.1 to 100 kHZ) providing information on MHD phenomena, impurity transport rates, toroidal rotation velocity, plasma position, and the electron temperature profile. It uses an array of silicon surface-barrier diodes which view different chords of the plasma through a common slot aperture and operate in current (as opposed to counting) mode. The effectiveness of shields to protect detectors from fusion-neutron radiation effects has been studied both theoretically and experimentally.

Hill, K.W.; Beiersdorfer, P.; Bitter, M.; Fredrickson, E.; Von Goeler, S.; Hsuan, H.; Johnson, L.C.; Liew, S.L.; McGuire, K.; Pare, V.

1987-01-01T23:59:59.000Z

284

Sure, a textbook can tell you about Bragg's Law and the x-ray absorption energies for any element in the periodic table, but it can't tell you how to plan and carry out an x-ray scattering experiment at one of the 50 or so synchrotron radiation facilitie  

NLE Websites -- All DOE Office Websites (Extended Search)

Report Report SSRL 6 th Annual School on Synchrotron X-ray Scattering Techniques in Materials and Environmental Sciences: Theory and Application SSRL SR-XRS participants. Synchrotron-based X-ray scattering (SR-XRS) techniques offer the ability to probe nano- and atomic-scale structure that dictates the properties of advanced technological and environmental materials. Important materials studied at the Stanford Synchrotron Radiation Lightsource (SSRL) include organic and inorganic thin films and interfaces, nanoparticles, complex oxides, solutions, polymers, minerals and poorly crystalline materials. Good planning and a good working knowledge of beam lines and techniques are required to successfully conduct SR-XRS measurements. This sixth annual School at SSRL on Synchrotron X-ray

285

Diagnosing the plasma nonuniformity in an iron opacity experiment by spatially resolved Al 1s-2p absorption spectroscopy  

Science Conference Proceedings (OSTI)

Generating a well-characterized hot-dense sample is of great importance to high quality opacity measurements. In this paper, we report on an experimental investigation of the plasma nonuniformity in a radiatively heated iron opacity sample by spatially resolved Al 1s-2p absorption spectroscopy. The iron sample was tamped by plastic at both sides and was heated by thermal x-ray radiation generated in a gold Hohlraum, and an Al layer attached to it was used as a tracer for temperature diagnosis. Spatially resolved 1s-2p transition absorption spectra of the Al tracer were measured by the technique of point-projection-spectroscopy, and temperatures in the sample were obtained by comparing the measured spectra with detailed-term-accounting model calculations, with the density of the sample deduced using a combination of side-on radiography and radiative hydrodynamic simulation. The results showed the existence of axial temperature nonuniformity in the sample, and these temperature variations have been used to explain the shift of iron 2p-3d transition absorption feature along the axial direction of the Hohlraum used to heat the sample successfully.

Zhang Xiaoding [CAS Key Laboratory of Basic Plasma Physics and Department of Modern Physics of University of Science and Technology of China, Hefei 230026 (China); Research Center of Laser Fusion, P. O. Box 919-986, Mianyang 621900 (China); Zhang Jiyan; Zhao Yang; Xiong Gang; Yang Guohong; Yang Jiamin [Research Center of Laser Fusion, P. O. Box 919-986, Mianyang 621900 (China); Zhao Bin; Zheng Jian [CAS Key Laboratory of Basic Plasma Physics and Department of Modern Physics of University of Science and Technology of China, Hefei 230026 (China)

2012-12-15T23:59:59.000Z

286

X-ray Transition Energies Search Form  

Science Conference Proceedings (OSTI)

[skip navigation] X-ray Transition Energies Database Main Page Search for X-ray transition energies by element(s), transition ...

287

Measuring of exhaust gas emissions using absorption spectroscopy  

Science Conference Proceedings (OSTI)

This paper describes an optical fibre sensor for the detection of NOx (NO2 and NO) and CO2 in the exhaust system of a road vehicle. The measurement is based on a free path interaction zone which is interrogated using ... Keywords: absorption spectroscopy, air pollution, carbon dioxide, emissions measurement, exhaust gas emissions, gas sensors, infrared, nitrogen dioxide, nitrogen oxide, optical fibre sensors, ultraviolet, vehicle emissions

Eamonn Hawe; Gerard Dooly; Colin Fitzpatrick; Paul Chambers; Elfed Lewis; W. Z. Zhao; T. Sun; K. T. V. Grattan; M. Degner; H. Ewald; S. Lochmann; G. Bramman; C. Wei; D. Hitchen; J. Lucas; A. Al-Shamma'a; E. Merlone-Borla; P. Faraldi; M. Pidria

2008-02-01T23:59:59.000Z

288

Soft X-ray Studies of Pu Electronic Structure: Past Lessons and Future Directions  

Science Conference Proceedings (OSTI)

Photoelectron Spectroscopy (PES) and X-ray Absorption Spectroscopy (XAS, Figure 1) have contributed greatly to our improved understanding of Pu electronic structure. From these and related measurements, the following has been determined: (1) The Pu 5f spin-orbit splitting is large; (2) The number of Pu5f electrons is near 5; and (3) The Pu 5f spin-orbit splitting effect dominates 5f itineracy. Significant questions remain concerning the nature of Pu electronic structure. Perhaps the missing piece of the puzzle is the direct experimental determination of the unoccupied electronic structure using high energy inverse photoelectron spectroscopy or Bremstrahlung Isochromat Spectroscopy (BIS). Past BIS studies of Th and U indicate the feasibility and utility of Pu studies.

Tobin, J G; Yu, S W

2008-02-07T23:59:59.000Z

289

Cryogenic, high-resolution x-ray detector with high count rate capability  

DOE Patents (OSTI)

A cryogenic, high-resolution X-ray detector with high count rate capability has been invented. The new X-ray detector is based on superconducting tunnel junctions (STJs), and operates without thermal stabilization at or below 500 mK. The X-ray detector exhibits good resolution (.about.5-20 eV FWHM) for soft X-rays in the keV region, and is capable of counting at count rates of more than 20,000 counts per second (cps). Simple, FET-based charge amplifiers, current amplifiers, or conventional spectroscopy shaping amplifiers can provide the electronic readout of this X-ray detector.

Frank, Matthias (Oakland, CA); Mears, Carl A. (Windsor, CA); Labov, Simon E. (Berkeley, CA); Hiller, Larry J. (Livermore, CA); Barfknecht, Andrew T. (Menlo Park, CA)

2003-03-04T23:59:59.000Z

290

Compact x-ray source and panel  

SciTech Connect

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.

Sampayon, Stephen E. (Manteca, CA)

2008-02-12T23:59:59.000Z

291

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

DOE Patents (OSTI)

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.

Chapline, Jr., George F. (Alamo, CA)

1985-01-01T23:59:59.000Z

292

Inhomogeneity and glass-forming ability in the bulk metallic glass Pd{sub 42.5}Ni{sub 7.5}Cu{sub 30}P{sub 20} as seen via x-ray spectroscopies  

Science Conference Proceedings (OSTI)

Core-level photoemission spectroscopy and anomalous x-ray scattering (AXS) measurements were performed for the Pd{sub 42.5}Ni{sub 7.5}Cu{sub 30}P{sub 20} (PNCP) excellent metallic glass to investigate the chemical nature and local atomic structure, and the results were compared to those in Pd{sub 40}Ni{sub 40}P{sub 20} and Pd{sub 40}Cu{sub 40}P{sub 20}. The P 2p core levels clearly separate into two states, indicating that the P atoms have two different chemical sites, which is a strong experimental proof for the existence of an elastic inhomogeneity. From the AXS close to the Pd K edge, a specific Pd-P-Pd atomic configuration was observed, which is related to the stable state in the P 2p core levels. All of the core levels measured in PNCP have the deepest binding energies among these glasses, indicating the most stable electronic states. Local structure around the P atoms is discussed by the AXS data and a metastable crystal appeared in a supercooled metallic alloy close to PNCP.

Hosokawa, S. [Center for Materials Research Using Third-Generation Synchrotron Radiation Facilities, Hiroshima Institute of Technology, Hiroshima 731-5193 (Japan); Physikalische Chemie, Fachbereich Chemie, Philipps Universitaet Marburg, D-35032 Marburg (Germany); Sato, H.; Nakatake, M. [Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima 739-0046 (Japan); Ichitsubo, T.; Matsubara, E. [Department of Materials Science and Engineering, Graduate School of Engineering, Kyoto University, Kyoto 606-8501 (Japan); Happo, N. [Graduate School of Information Sciences, Hiroshima City University, Hiroshima 731-3194 (Japan); Berar, J.-F.; Boudet, N. [Institut Neel, CNRS, F-38042 Grenoble Cedex (France); Usuki, T. [Department of Material and Biological Chemistry, Faculty of Science, Yamagata University, Yamagata 990-8560 (Japan); Pilgrim, W.-C. [Physikalische Chemie, Fachbereich Chemie, Philipps Universitaet Marburg, D-35032 Marburg (Germany); Nishiyama, N. [R and D Institute of Metals and Composites for Future Industries, Sendai 980-8577 (Japan)

2009-11-01T23:59:59.000Z

293

Epitaxial BaTiO{sub 3}(100) films on Pt(100): A low-energy electron diffraction, scanning tunneling microscopy, and x-ray photoelectron spectroscopy study  

Science Conference Proceedings (OSTI)

The growth of epitaxial ultrathin BaTiO{sub 3} films on a Pt(100) substrate has been studied by scanning tunneling microscopy (STM), low-energy electron diffraction (LEED), and x-ray photoelectron spectroscopy (XPS). The films have been prepared by radio-frequency-assisted magnetron sputter deposition at room temperature and develop a long-range order upon annealing at 900 K in O{sub 2}. By adjusting the Ar and O{sub 2} partial pressures of the sputter gas, the stoichiometry was tuned to match that of a BaTiO{sub 3}(100) single crystal as determined by XPS. STM reveals the growth of continuous BaTiO{sub 3} films with unit cell high islands on top. With LEED already for monolayer thicknesses, the formation of a BaTiO{sub 3}(100)-(1 x 1) structure has been observed. Films of 2-3 unit cell thickness show a brilliant (1 x 1) LEED pattern for which an extended set of LEED I-V data has been acquired. At temperatures above 1050 K the BaTiO{sub 3} thin film starts to decay by formation of vacancy islands. In addition (4 x 4) and (3 x 3) surface reconstructions develop upon prolonged heating.

Foerster, Stefan; Huth, Michael; Schindler, Karl-Michael; Widdra, Wolf [Institute of Physics, Martin-Luther-Universitaet Halle-Wittenberg, Halle (Germany)

2011-09-14T23:59:59.000Z

294

The complex soft X-ray spectrum of NGC 4151  

E-Print Network (OSTI)

We present a detailed analysis of the complex soft X-ray spectrum of NGC 4151 measured by the RGS instruments aboard XMM-Newton. The XMM-Newton RGS spectra demonstrate that the soft X-ray emission is extremely rich in X-ray emission lines and radiative recombination continua (RRC), with no clear evidence for any underlying continuum emission. Line emission, and the associated RRC, are clearly detected from hydrogen-like and helium-like ionization states of neon, oxygen, nitrogen and carbon. The measured lines are blueshifted with a velocity of between ~100-1000 km/s, with respect to the systemic velocity of NGC 4151, approximately consistent with the outflow velocities of the absorption lines observed in the UV, suggestive of an origin for the UV and soft X-ray emission in the same material. Plasma diagnostics imply a range of electron temperatures of ~1-5x10^4 K and electron densities of between 10^8-10^10 cm^-3. The soft X-ray spectrum of NGC 4151 is extremely similar to that of NGC 1068, suggesting that the soft X-ray excesses observed in many Seyfert galaxies may be composed of similar emission features. Modelling the RGS spectra in terms of emission from photoionized and photoexcited gas in an ionization cone reproduces all of the hydrogen-like and helium-like emission features observed in the soft X-ray spectrum of NGC 4151 in detail and confirms the correspondence between the soft X-ray emission in NGC 4151 and NGC 1068.

N. J. Schurch; R. S. Warwick; R. E. Griffiths; S. M. Kahn

2004-01-26T23:59:59.000Z

295

Unexpected Angular Dependence of X-Ray Magnetic Linear Dichroism  

NLE Websites -- All DOE Office Websites (Extended Search)

Unexpected Angular Dependence of X-Ray Magnetic Linear Dichroism Print Unexpected Angular Dependence of X-Ray Magnetic Linear Dichroism Print Using spectroscopic information for magnetometry and magnetic microscopy obviously requires detailed theoretical understanding of spectral shape and magnitude of dichroism signals. A research team at ALS Beamline 4.0.2 has now shown unambiguously that, contrary to common belief, spectral shape and magnitude of x-ray magnetic linear dichroism (XMLD) are not only determined by the relative orientation of magnetic moments and x-ray polarization, but their orientation relative to the crystallographic axes must be taken into account for accurate interpretation of XMLD data. Magnetism and X Rays The ancient Greeks and also the Chinese knew about strange and rare stones with the power to attract iron. Moreover, when freely suspended these objects pointed north-south. Throughout the past, we have used this phenomenon-magnetism-for navigation and more recently for power production and digital information storage, all while trying to explore and understand its origins. In 1986 researchers at a facility similar to the ALS observed for the first time that the absorption of x rays depends not only on the composition of a material-that is, if it contains iron, nickel, or other elements-but also on its magnetism. The effect is unique in that it allows us to distinguish which atomic species magnetism originates from and provides information about their local atomic environment-for example, whether a magnetic species is surrounded by 4 or 6 oxygen atoms. A research team at the ALS has now shown that the relationship between magnetic order and absorption of x rays is even more complex and exciting than has been assumed for the past 20 years, leading to a reassessment of previous results.

296

Unexpected Angular Dependence of X-Ray Magnetic Linear Dichroism  

NLE Websites -- All DOE Office Websites (Extended Search)

Unexpected Angular Dependence of X-Ray Magnetic Linear Dichroism Print Unexpected Angular Dependence of X-Ray Magnetic Linear Dichroism Print Using spectroscopic information for magnetometry and magnetic microscopy obviously requires detailed theoretical understanding of spectral shape and magnitude of dichroism signals. A research team at ALS Beamline 4.0.2 has now shown unambiguously that, contrary to common belief, spectral shape and magnitude of x-ray magnetic linear dichroism (XMLD) are not only determined by the relative orientation of magnetic moments and x-ray polarization, but their orientation relative to the crystallographic axes must be taken into account for accurate interpretation of XMLD data. Magnetism and X Rays The ancient Greeks and also the Chinese knew about strange and rare stones with the power to attract iron. Moreover, when freely suspended these objects pointed north-south. Throughout the past, we have used this phenomenon-magnetism-for navigation and more recently for power production and digital information storage, all while trying to explore and understand its origins. In 1986 researchers at a facility similar to the ALS observed for the first time that the absorption of x rays depends not only on the composition of a material-that is, if it contains iron, nickel, or other elements-but also on its magnetism. The effect is unique in that it allows us to distinguish which atomic species magnetism originates from and provides information about their local atomic environment-for example, whether a magnetic species is surrounded by 4 or 6 oxygen atoms. A research team at the ALS has now shown that the relationship between magnetic order and absorption of x rays is even more complex and exciting than has been assumed for the past 20 years, leading to a reassessment of previous results.

297

Development of Ta-based Superconducting Tunnel Junction X-ray Detectors for Fluorescence XAS  

SciTech Connect

We are developing superconducting tunnel junction (STJ) soft X-ray detectors for chemical analysis of dilute samples by fluorescence-detected X-ray absorption spectroscopy (XAS). Our 36-pixel Nb-based STJ spectrometer covers a solid angle {Omega}/4{pi} {approx} 10{sup -3}, offers an energy resolution of {approx}10-20 eV FWHM for energies up to {approx}1 keV, and can be operated at total count rates of {approx}10{sup 6} counts/s. For increased quantum efficiency and cleaner response function, we have now started the development of Ta-based STJ detector arrays. Initial devices modeled after our Nb-based STJs have an energy resolution below 10 eV FWHM for X-ray energies below 1 keV, and pulse rise time discrimination can be used to improve their response function for energies up to several keV. We discuss the performance of the Ta-STJs and outline steps towards the next-generation of large STJ detector arrays with higher sensitivity.

Friedrich, S; Drury, O; Hall, J; Cantor, R

2009-09-23T23:59:59.000Z

298

Spectral unfolds of PITHON Flash X-ray source.  

SciTech Connect

Using a differential absorption spectrometer we obtained experimental spectral information for the PITHON Flash X-ray Machine located in San Leandro, California at L-3 Communications. Spectral information we obtained pertained to the 200 keV to 800 keV endpoint operation of PITHON. We also obtained data on the temporal behavior of high energy and low energy spectral content.

Zarick, Thomas Andrew; Sheridan, Timothy J.; Hartman, E. Frederick; Riordan, John C. (L-3 Pulse Sciences)

2007-11-01T23:59:59.000Z

299

Microgap x-ray detector  

DOE Patents (OSTI)

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.

Wuest, Craig R. (Danville, CA); Bionta, Richard M. (Livermore, CA); Ables, Elden (Livermore, CA)

1994-01-01T23:59:59.000Z

300

Chest x-Rays | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Chest x-Rays Chest x-Rays Chest x-Rays Chest X-ray B-Reading 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. The B-reading is considered a special reading because doctors who are certified by NIOSH to perform B-readings use a specific protocol to read and record the findings as developed by the International Labour Organization (ILO). The ILO's protocol provides rules for systematically examining the x-ray in a step-by-step method and recording certain abnormalities or changes on the chest x-ray that can be attributable to

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301

Spectral analysis of X-ray binaries  

E-Print Network (OSTI)

In this thesis, I present work from three separate research projects associated with observations of X-ray binaries. Two of those revolve around spectral characteristics of neutron star low-mass X-ray binaries (NS-LMXBs), ...

Fridriksson, Joel Karl

2011-01-01T23:59:59.000Z

302

Cryotomography x-ray microscopy state  

Science Conference Proceedings (OSTI)

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.

Le Gros, Mark (Berkeley, CA); Larabell, Carolyn A. (Berkeley, CA)

2010-10-26T23:59:59.000Z

303

Ultrafast x-ray diagnostics for laser fusion experiments  

SciTech Connect

Temporally, spectrally, and spatially resolved x-ray emission diagnostics are important tools in the study of the heating and compression of laser fusion targets by sub-nanosecond laser pulses. The use of the Livermore 15 psec resolution x-ray streak camera to make such measurements is reviewed. Temporal histories of spectrally resolved x-ray emission in the 1 to 10 keV range have been obtained. These data have served to further define the x-ray streak camera as a quantative diagnostic tool and have also provided data relating to the absorption and compression phases of laser heating. The x-ray streak camera has been used in conjunction with a specially designed pinhole imaging system to temporally record images of laser compressed targets with a spatial resolution of approximately 6 ..mu..m. Implosion characteristics are presented for experiments with glass microshell targets. The concept, development, and testing of an ultrafast framing camera for full two-dimensional time resolved imaging is discussed. A prototype camera, based on the image dissection-restoration concept, has achieved an approximately 200 psec frame period with a resolution of 50 ..mu..m.

Coleman, L.W.

1976-08-16T23:59:59.000Z

304

The complex soft X-ray spectrum of NGC 4151  

E-Print Network (OSTI)

We present a detailed analysis of the complex soft X-ray spectrum of NGC 4151 measured by the RGS instruments aboard XMM-Newton. The XMM-Newton RGS spectra demonstrate that the soft X-ray emission is extremely rich in X-ray emission lines and radiative recombination continua (RRC), with no clear evidence for any underlying continuum emission. Line emission, and the associated RRC, are clearly detected from hydrogen-like and helium-like ionization states of neon, oxygen, nitrogen and carbon. The measured lines are blueshifted with a velocity of between ?100-1000 km s ?1, with respect to the systemic velocity of NGC 4151, approximately consistent with the outflow velocities of the absorption lines observed in the UV spectrum of NGC 4151 (Kriss et al. 1995), suggestive of an origin for the UV and soft X-ray emission in the same material. Plasma diagnostics from the observed helium-like triplets, imply a range of electron temperatures of ?1-510 4 K and electron densities of between 10 8-10 10 cm ?3. The soft X-ray spectrum of NGC 4151 is extremely similar to that of NGC 1068, both in terms of the atomic species present and in terms of the relative strengths

N. J. Schurch; R. S. Warwick; R. E. Griffiths; S. M. Kahn

2004-01-01T23:59:59.000Z

305

The complex soft X-ray spectrum of NGC 4151  

E-Print Network (OSTI)

We present a detailed analysis of the complex soft X-ray spectrum of NGC 4151 measured by the RGS instruments aboard XMM-Newton. The XMM-Newton RGS spectra demonstrate that the soft X-ray emission is extremely rich in X-ray emission lines and radiative recombination continua (RRC), with no clear evidence for any underlying continuum emission. Line emission, and the associated RRC, are clearly detected from hydrogen-like and helium-like ionization states of neon, oxygen, nitrogen and carbon. The measured lines are blueshifted with a velocity of between ~100-1000 km/s, with respect to the systemic velocity of NGC 4151, approximately consistent with the outflow velocities of the absorption lines observed in the UV, suggestive of an origin for the UV and soft X-ray emission in the same material. Plasma diagnostics imply a range of electron temperatures of ~1-5x10^4 K and electron densities of between 10^8-10^10 cm^-3. The soft X-ray spectrum of NGC 4151 is extremely similar to that of NGC 1068, suggesting that th...

Schurch, N J; Griffiths, R E; Kahn, S M

2004-01-01T23:59:59.000Z

306

X-ray transmissive debris shield  

DOE Patents (OSTI)

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.

Spielman, R.B.

1996-05-21T23:59:59.000Z

307

X-ray transmissive debris shield  

DOE Patents (OSTI)

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.

Spielman, Rick B. (Albuquerque, NM)

1996-01-01T23:59:59.000Z

308

A multi-crystal wavelength dispersive x-ray spectrometer  

Science Conference Proceedings (OSTI)

A multi-crystal wavelength dispersive hard x-ray spectrometer with high-energy resolution and large solid angle collection is described. The instrument is specifically designed for time-resolved applications of x-ray emission spectroscopy (XES) and x-ray Raman scattering (XRS) at X-ray Free Electron Lasers (XFEL) and synchrotron radiation facilities. It also simplifies resonant inelastic x-ray scattering (RIXS) studies of the whole 2d RIXS plane. The spectrometer is based on the Von Hamos geometry. This dispersive setup enables an XES or XRS spectrum to be measured in a single-shot mode, overcoming the scanning needs of the Rowland circle spectrometers. In conjunction with the XFEL temporal profile and high-flux, it is a powerful tool for studying the dynamics of time-dependent systems. Photo-induced processes and fast catalytic reaction kinetics, ranging from femtoseconds to milliseconds, will be resolvable in a wide array of systems circumventing radiation damage.

Alonso-Mori, Roberto; Montanez, Paul; Delor, James; Bergmann, Uwe [LCLS, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Kern, Jan [LCLS, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720-8099 (United States); Sokaras, Dimosthenis; Weng, Tsu-Chien; Nordlund, Dennis [SSRL, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Tran, Rosalie; Yachandra, Vittal K.; Yano, Junko [Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720-8099 (United States)

2012-07-15T23:59:59.000Z

309

Modelling the X-ray polarimetric signatures of complex geometry: the case study of the "changing look" AGN NGC 1365  

E-Print Network (OSTI)

"Changing look" Active Galactic Nuclei (AGN) are a subset of Seyfert galaxies characterized by rapid transitions between Compton-thin and Compton-thick regimes. In their Compton-thin state, the central engine is less obscured, hence spectroscopy or timing observations can probe their innermost structures. However, it is not clear if the observed emission features and the Compton hump are associated with relativistic reflection onto the accretion disc, or complex absorption by distant, absorbing gas clouds passing by the observer's line-of-sight. Here, we investigate these two scenarios under the scope of X-ray polarimetry, providing the first polarisation predictions for an archetypal "changing look" AGN: NGC 1365. We explore the resulting polarisation emerging from lamp-post emission and scattering off an accretion disc in the immediate vicinity of a supermassive black hole. The computed polarisation signatures are compared to the results of an absorption-dominated model, where high column density gas partially covers the central source. While the shape of the polarisation spectrum is similar, the two models differ in net polarisation percentage, with the relativistic reflection scenario producing significantly stronger polarisation. Additionally, the variation of the polarisation position angle is distinctly different between both scenarios: the reflection-dominated model produces smooth rotations of the polarisation angle with photon energy whereas circumnuclear absorption causes an orthogonal switch of the polarisation angle between the soft and the hard X-ray bands. By comparing the predicted polarisation of NGC 1365 to the detectability levels of X-ray polarimetry mission concepts proposed in the past, we demonstrate that with a large, soft X-ray observatory or a medium-sized mission equipped with a hard (6 - 35 keV) polarimeter, the correct interpretation would be unambiguous.

Frederic Marin; Delphine Porquet; Rene W. Goosmann; Michal Dovciak; Fabio Muleri; Nicolas Grosso; Vladimir Karas

2013-09-06T23:59:59.000Z

310

Exploring electronic structure through high-resolution hard x-ray  

NLE Websites -- All DOE Office Websites (Extended Search)

Exploring electronic structure through high-resolution hard x-ray Exploring electronic structure through high-resolution hard x-ray spectroscopies Tuesday, July 23, 2013 - 11:00am SLAC, Conference Room 137-322 Presented by Dimosthenis Sokaras, Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory Modern high brilliance beamlines coupled with recent advances in hard-x-ray optics are establishing high-resolution hard x-ray spectroscopies as a powerful analytical tool for routine electronic structure investigations. Their advantageous characteristics like the chemical sensitivity or the hard x-rays penetration depth, that permits the implementation of difficult sample environments, expand the applicability of the relevant studies to multidisciplinary scientific fields. Simultaneously, the experimental

311

Imaging of lateral spin valves with soft x-ray microscopy  

SciTech Connect

We investigated Co/Cu lateral spin valves by means of high-resolution transmission soft x-ray microscopy with magnetic contrast that utilizes x-ray magnetic circular dichroism (XMCD). No magnetic XMCD contrast was observed at the Cu L{sub 3} absorption edge, which should directly image the spin accumulation in Cu. Although electrical transport measurements in a non-local geometry clearly detected the spin accumulation in Cu, which remained unchanged during illumination with circular polarized x-rays at the Co and Cu L{sub 3} absorption edges.

Mosendz, O.; Mihajlovic, G.; Pearson, J. E.; Fischer, P.; Im, M.-Y.; Bader, S. D.; Hoffmann, A.

2009-05-01T23:59:59.000Z

312

Ptmetal oxide aerogel catalysts: X-ray photoemission investigation  

Science Conference Proceedings (OSTI)

X-ray photoemission spectroscopy was used to study Ptmetal oxide aerogel catalysts that have been developed to respond to increased NO x emissions of lean-burn engines. Lean-burn engines

A. J. Nelson; John G. Reynolds; R. D. Sanner; P. R. Coronado; L. M. Hair

2001-01-01T23:59:59.000Z

313

Characterization of the nitrate complexes of Pu(IV) using absorption spectroscopy, {sup 15}N NMR, and EXAFS  

Science Conference Proceedings (OSTI)

Nitrate complexes of Pu(IV) are studied in solutions containing nitrate up to 13 molar (M). Three major nitrato complexes are observed and identified using absorption spectroscopy, {sup 15}N nuclear magnetic resonance (NMR), and extended x-ray absorption fine structure (EXAFS) as Pu(NO{sub 3}){sub 2}{sup 2+}, Pu(NO{sub 3}){sub 4}, and Pu(NO{sub 3}){sub 6}{sup 2{minus}}. The possibility that Pu(NO{sub 3}){sub 1}{sup 3+}, Pu(NO{sub 3}){sub 3}{sup 1+} and Pu(NO{sub 3}){sub 5}{sup 1{minus}} are major species in solution is not consistent with these results and an upper limit of 0.10 can be set on the fraction for each of these three nitrate complexes in nitrate containing solutions. Fraction of the three major species in nitric acid over the 1--13 M range were calculated from absorption spectra data. The fraction of Pu(NO{sub 3}){sub 6}{sup 2{minus}} as a function of nitric acid concentration is in good agreement with the literature, whereas the fraction of Pu(NO{sub 3}){sub 2}{sup 2+} and Pu(NO{sub 3}){sub 4} species differ from previous studies. We have modeled the chemical equilibria up to moderate ionic strength ( < 6 molal) using the specific ion interaction theory (SM. Comparison of our experimental observations to literature stability constants that assume the presence of mononitrate species is poor. Stability constant at zero ionic strength for the dinitrato complex is determined to be log({beta}{sub 2}{sup 0})=3.77 {plus_minus} 0.14 (2{sigma}).

Veirs, D.K.; Smith, C.A.; Zwick, B.D.; Marsh, S.F.; Conradson, S.D.

1993-12-01T23:59:59.000Z

314

X-ray spectroscopic study of the charge state and local orderingof room-temperature ferromagnetic Mn oped ZnO  

Science Conference Proceedings (OSTI)

The charge state and local ordering of Mn doped into a pulsed laser deposited single-phase thin film of ZnO are investigated by using X-ray absorption spectroscopy at the O K-, Mn K- and L-edges, and X-ray emission spectroscopy at the O K- and Mn L-edge. This film is found to be ferromagnetic at room temperature. EXAFS measurement shows that Mn{sup 2+} replaces Zn site in tetrahedral symmetry, and there is no evidence for either metallic Mn or MnO in the film. Upon Mn doping, the top of O 2p valence band extends into the bandgap indicating additional charge carries being created.

Guo, J.-H.; Gupta, Amita; Sharma, Parmanand; Rao, K.V.; Marcus,M.A.; Dong, C.L.; Guillen, J.M.O.; Butorin, S.M.; Mattesini, M.; Glans,P.A.; Smith, K.E.; Chang, C.L.; Ahuja, R.

2007-08-07T23:59:59.000Z

315

X-ray transmissive debris shield  

DOE Patents (OSTI)

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.

Spielman, Rick B. (Albuquerque, NM)

1994-01-01T23:59:59.000Z

316

NIST X-Ray Transition Energies  

Science Conference Proceedings (OSTI)

... with the International System of measurement ... titled "X-ray transition energies: new approach ... and by NIST's Systems Integration for Manufacturing ...

2011-12-09T23:59:59.000Z

317

X-ray Line Profile Analysis  

Science Conference Proceedings (OSTI)

... Magnetic Composite Materials X-Ray Studies of Structural Effects Induced by Pulsed (30 Tesla), High Magnetic Fields at the Advanced Photon Source...

318

Lensless X-Ray Imaging in Reflection  

NLE Websites -- All DOE Office Websites (Extended Search)

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...

319

Hard X-Ray Quad Collimator  

Technology Development and Commercialization Division One of the best ways to obtain small?size x?ray beams for structural biology research is to ...

320

Statistically meaningful data on the chemical state of iron precipitates in processed multicrystalline silicon using synchrotron-based X-ray absorption spectroscopy  

E-Print Network (OSTI)

by the U.S. Department of Energy, Office of Science,by the Director, Office of Science, Office of Basic EnergyOffice of Basic Energy Sciences, under Contract No. W-31-

2004-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


321

X?ray Fluorescence (XRF) Assay Using Laser Compton Scattered (LCS) X?rays  

Science Conference Proceedings (OSTI)

Laser Compton Scattered (LCS) X?rays are produced as a result of the interaction between accelerated electrons and a laser beam. The yield of LCS X?rays is dependent on the laser power

Syed F. Naeem; Khalid Chouffani; Douglas P. Wells

2009-01-01T23:59:59.000Z

322

X-Ray Multilayer Database from the LBL Center for X-Ray Optics (CXRO)  

DOE Data Explorer (OSTI)

An important activity of the Center for X-ray Optics (CXRO) is research on x-ray mirrors and their use in optical devices to focus and deflect x-ray beams. The two kinds of mirrors most widely used are glancing incidence reflectors and multilayer coatings. The X-Ray Multilayer Database is based on the results of surveys taken at the biennial Physics of X-Ray Multilayer Structures conferences. It contains measured x-ray reflectances reported for various multilayers. The database is provided as a service to the x-ray and multilayer research communities and is intended to reflect the state-of-the-art in multilayer x-ray mirrors. (Specialized Interface)

323

X-Ray Data Booklet X-RAY DATA BOOKLET  

E-Print Network (OSTI)

.10.Re 1. Introduction Mendelevium (Z=101) and Lawrencium (Z=103) isotopes have been dis- covered nearly isotopes have been studied so far using prompt gamma- ray spectroscopy: the neutron-odd 253No [9

Meagher, Mary

324

Materials Analysis by Soft x-ray Scanning Transmission X-ray ...  

Science Conference Proceedings (OSTI)

About this Abstract. Meeting, Materials Science & Technology 2013. Symposium, Optical and X-ray Imaging Techniques for Material Characterization.

325

Imaging nanoscale magnetic structures with polarized soft x-ray photons  

SciTech Connect

Imaging nanoscale magnetic structures and their fast dynamics is scientifically interesting and technologically of highest relevance. The combination of circularly polarized soft X-ray photons which provide a strong X-ray magnetic circular dichroism effect at characteristic X-ray absorption edges, with a high resolution soft X-ray microscope utilizing Fresnel zone plate optics allows to study in a unique way the stochastical behavior in the magnetization reversal process of thin films and the ultrafast dynamics of magnetic vortices and domain walls in confined ferromagnetic structures. Future sources of fsec short and high intense soft X-ray photon pulses hold the promise of magnetic imaging down to fundamental magnetic length and time scales.

Fischer, P.; Im, M.-Y.

2010-01-18T23:59:59.000Z

326

X-ray emission from O-type stars : DH Cep and HD 97434  

E-Print Network (OSTI)

We present X-ray emission characteristics of the massive O-type stars DH Cep and HD 97434 using archival XMM-Newton observations. There is no convincing evidence for short term variability in the X-ray intensity during the observations. However, the analysis of their spectra reveals X-ray structure being consistent with two-temperature plasma model. The hydrogen column densities derived from X-ray spectra of DH Cep and HD 97434 are in agreement with the reddening measurements for their corresponding host clusters NGC 7380 and Trumpler 18, indicating that the absorption by stellar wind is negligible. The X-ray emission from these hot stars is interpreted in terms of the standard instability-driven wind shock model.

Bhatt, Himali; Kumar, Brijesh; Sagar, Ram; Singh, K P

2010-01-01T23:59:59.000Z

327

Geek-Up[6.10.10]: Attosecond Absorption Spectroscopy and Kinked Nanopores |  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

6.10.10]: Attosecond Absorption Spectroscopy and Kinked 6.10.10]: Attosecond Absorption Spectroscopy and Kinked Nanopores Geek-Up[6.10.10]: Attosecond Absorption Spectroscopy and Kinked Nanopores August 6, 2010 - 6:07pm Addthis A classical diagram of a krypton atom shows its 36 electrons arranged in shells. | Photo Courtesy of: Berkeley Lab. A classical diagram of a krypton atom shows its 36 electrons arranged in shells. | Photo Courtesy of: Berkeley Lab. Elizabeth Meckes Elizabeth Meckes Director of User Experience & Digital Technologies, Office of Public Affairs Thanks to the attosecond absorption spectroscopy process, an international team of scientists from Max Planck Institute of Quantum Optics (MPQ), Lawrence Berkeley National Laboratory and the University of California at Berkeley were able to observe an atom's electrons moving in real time -

328

Absorption spectroscopy in hollow-glass waveguides using infrared laser diodes  

Science Conference Proceedings (OSTI)

Hollow-glass waveguides may be a viable technology that, in some cases, may supplant heavier multi-pass cells such as White or Herriott cells for performing trace detection using tunable diode laser absorption spectroscopy. We report here a series of experiments for testing the suitability of waveguides for infrared spectroscopy. The loss characteristics of 1 mm bore diameter waveguides have been measured for straight and coiled lengths. Using direct absorption spectroscopy we have found that the absorption pathlength is approximately equal to the physical length of the waveguide. Broadband FM diode laser spectroscopy produces a comparable signal-to-noise ratio with less than a second of signal averaging. Finally, we have also performed near-infrared spectroscopy of nitrous oxide flowing through a waveguide using a telecommunications diode laser.

Blake, Thomas A.; Kelly, James F.; Stewart, Timothy L.; Hartman, John S.; Sharpe, Steven W.; Sams, Robert L.

2002-07-10T23:59:59.000Z

329

Lensless X-Ray Imaging in Reflection  

NLE Websites -- All DOE Office Websites (Extended Search)

Lensless X-Ray Imaging in 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 important for coherent x-ray diffraction imaging-lensless imaging techniques that are proving to be integral to single-shot, high-resolution imaging of both complex materials and biological samples. Existing techniques are typically designed for transmission geometry, however, and use isolated objects, requiring special sample fabrication and restricting the type of samples under investigation. Recently, researchers from the ALS and the University of Oregon have shown at ALS Beamline 12.0.2 that it is possible to form x-ray holograms in reflection geometry by using the light scattered from a sample, opening the door to lensless imaging of a wealth of new material samples.

330

Edge-enhanced imaging obtained with very broad energy band x-rays  

SciTech Connect

We demonstrate both theoretically and experimentally that edge-enhancement effects are produced when objects, in contact with the x-ray detector, are imaged by using very broad x-ray spectra. Radiographs of thin Al objects have been obtained with a table-top synchrotron source which generates x-rays in the energy range from a few kilo-electron-volts up to 6 MeV. Edge-enhancement effects arise from the combination of x-ray absorption (kilo-electron-volt part of the spectrum) and secondary particle emission (mega-electron-volt part of the spectrum) within the sample. The exact contribution of absorption and emission profiles in the edge-enhanced images has been calculated via Monte Carlo simulation.

Taibi, A.; Cardarelli, P.; Di Domenico, G.; Marziani, M.; Gambaccini, M. [Department of Physics, University of Ferrara, INFN Section of Ferrara, via Saragat 1, 44100 Ferrara (Italy); Hanashima, T. [Photon Production Laboratory Ltd., 1-1-1 Nojihigashi, Kusatsu, Shiga 525-8577 (Japan); Yamada, H. [Synchrotron Light Life Science Center, Ritsumeikan University, 1-1-1 Nojihigashi, Kusatsu, Shiga 525-8577 (Japan)

2010-04-05T23:59:59.000Z

331

Soft X-ray Studies of Pu Electronic Structure: Past Lessons and Future Directions  

Science Conference Proceedings (OSTI)

Photoelectron Spectroscopy (PES) and X-ray Absorption Spectroscopy (XAS) have contributed greatly to our improved understanding of Pu electronic structure. From these and related measurements, the following has been determined. 1. The Pu 5f spin-orbit splitting is large. 2. The number of Pu 5f electrons is near 5. 3. The Pu 5f spin-orbit splitting effect dominates 5f itinerancy. Significant questions remain concerning the nature of Pu electronic structure. Perhaps the missing piece of the puzzle is the direct experimental determination of the unoccupied electronic structure using high energy inverse photoelectron spectroscopy or Bremsstrahlung Isochromat Spectroscopy (BIS). Past BIS studies of Th and U indicate the feasibility and utility of Pu studies. To this end, a new BIS capability has been developed in our laboratory. Electron stimulated emission of photons has been carried out using the XES-350 monochromator and detector system. Some of our preliminary results are shown, using an electron excitation beam energy of 3000 eV. (authors)

Tobin, J.G.; Yu, S.W. [LLNL, Livermore, CA, 94550 (United States)

2008-07-01T23:59:59.000Z

332

An X-ray Polarimeter for Constellation-X  

E-Print Network (OSTI)

Polarimetry remains a largely unexploited technique in observational X-ray astronomy which could provide insight in the study of the strong gravity and magnetic fields at the core of the Constellation-X observational program. Adding a polarization capability to the Constellation-X instrumentation would be immensely powerful. It would make Constellation the first space observatory to simultaneously measure all astrophysically relevant parameters of source X-ray photons; their position (imaging), energy (spectroscopy), arrival time (timing), and polarization. Astrophysical polarimetry requires sensitive well-calibrated instruments. Many exciting objects are extra-galactic (i.e. faint) and may have small polarization. Recent advances in efficiency and bandpass make it attractive to consider a polarimetry Science Enhancement Package for the Constellation-X mission.

K. Jahoda; K. Black; P. Deines-Jones; J. E. Hill; T. Kallman; T. Strohmayer; J. H. Swank

2007-01-04T23:59:59.000Z

333

APS Bending Magnet X-rays and  

NLE Websites -- All DOE Office Websites (Extended Search)

Irradiation of Nd-Fe-B Permanent Magnets with Irradiation of Nd-Fe-B Permanent Magnets with APS Bending Magnet X-rays and 60 Co γ-rays J. Alderman and P.K. Job APS Operations Division Advanced Photon Source J. Puhl Ionizing Radiation Division National Institute of Standards and Technology June 2000 Table of Contents Introduction Radiation-Induced Demagnetization of Permanent Magnets Resources Required γ-ray Irradiation Results and Analysis of γ-ray Irradiation X-ray Irradiation Results and Analysis of X-ray Irradiation Summary and Conclusions Acknowledgements References Tables and Figures Introduction The Advanced Photon Source (APS), as well as other third-generation synchrotron light sources, uses permanent magnets in the insertion devices to produce x-rays for scientific

334

X-ray image intensifier phosphor  

DOE Patents (OSTI)

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.

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

1975-12-01T23:59:59.000Z

335

World's First Hard X-ray Laser  

NLE Websites -- All DOE Office Websites (Extended Search)

LCLS is the world's most powerful X-ray laser. Its highly focused beam, which arrives in staccato bursts a few quadrillionths of a second long, allows researchers to probe complex,...

336

X-ray grid-detector apparatus  

DOE Patents (OSTI)

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.

Boone, John M. (Folsom, CA); Lane, Stephen M. (Oakland, CA)

1998-01-27T23:59:59.000Z

337

X-Ray Nanoimaging: Instruments and Methods  

NLE Websites -- All DOE Office Websites (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...

338

X-Ray Scattering Group, Condensed Matter Physics & Materials...  

NLE Websites -- All DOE Office Websites (Extended Search)

- Brookhaven National Laboratory, Upton, NY Beamline X1A2 - Soft x-ray diffraction and nano-imaging Beamline X17 - X-ray powder diffraction Beamline X22C - Resonant x-ray...

339

X-Ray Emission from Compact Sources  

SciTech Connect

This paper presents a review of the physical parameters of neutron stars and black holes that have been derived from X-ray observations. I then explain how these physical parameters can be used to learn about the extreme conditions occurring in regions of strong gravity, and present some recent evidence for relativistic effects seen in these systems. A glossary of commonly used terms and a short tutorial on the names of X-ray sources are also included.

Cominsky, L

2004-03-23T23:59:59.000Z

340

Development and characterization of a novel compact x-ray source  

E-Print Network (OSTI)

For elemental analysis, x-ray fluorescence spectroscopy (XRF) is a rapid and simple method of analysis, which provides both quantitative and qualitative information. In general, most XRF instruments are not suited for use as portable field instruments. Most commercial XRF spectrometers require cooling units for the anode, large power supplies and, in some cases, liquid nitrogen to cool the x-ray detectors. Alternative x-ray sources using radioactive isotopes have been considered for portable XRF, but safety regulations and public concerns have hampered their usage. An x-ray source has been developed which uses a solid state electron multiplier to enhance the electron gain from a simple filament. The overall gain from the electron multiplier is sufficient to generate x-rays. However, the novel source produces less heating of the anode, eliminating the cooling unit requirement. This feature along with the small size of the electron multiplier, allows for a compact design, which lends itself to portability. An additional feature is that the power consumption of the system is lower than a typical xray tube system. Initial studies have shown that the system behaves similar to a conventional x-ray tube. Increasing anode voltage (electron energy) causes improved yield of the higher energy x-rays. Also, increasing the electron multiplier voltage (electron intensity) increases overall intensity of the x-ray output. Using the new source for XRF studies, the limits of detection were comparable with values reported in the literature. It was necessary, however, to prepare the samples using single elements to reduce matrix affects and lessen effects of overlapping peaks. In general the x-ray source shows potential as a portable x-ray source that may be used in the field.

Woo, Ronald Yut

1996-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


341

Lensless X-Ray Imaging in Reflection  

NLE Websites -- All DOE Office Websites (Extended Search)

Lensless X-Ray Imaging in Reflection Print 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 techniques that are proving to be integral to single-shot, high-resolution imaging of both complex materials and biological samples. Existing techniques are typically designed for transmission geometry, however, and use isolated objects, requiring special sample fabrication and restricting the type of samples under investigation. Recently, researchers from the ALS and the University of Oregon have shown at ALS Beamline 12.0.2 that it is possible to form x-ray holograms in reflection geometry by using the light scattered from a sample, opening the door to lensless imaging of a wealth of new material samples.

342

Lensless X-Ray Imaging in Reflection  

NLE Websites -- All DOE Office Websites (Extended Search)

X-Ray Imaging in Reflection Print 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 are proving to be integral to single-shot, high-resolution imaging of both complex materials and biological samples. Existing techniques are typically designed for transmission geometry, however, and use isolated objects, requiring special sample fabrication and restricting the type of samples under investigation. Recently, researchers from the ALS and the University of Oregon have shown at ALS Beamline 12.0.2 that it is possible to form x-ray holograms in reflection geometry by using the light scattered from a sample, opening the door to lensless imaging of a wealth of new material samples.

343

Lensless X-Ray Imaging in Reflection  

NLE Websites -- All DOE Office Websites (Extended Search)

X-Ray Imaging in Reflection Print 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 are proving to be integral to single-shot, high-resolution imaging of both complex materials and biological samples. Existing techniques are typically designed for transmission geometry, however, and use isolated objects, requiring special sample fabrication and restricting the type of samples under investigation. Recently, researchers from the ALS and the University of Oregon have shown at ALS Beamline 12.0.2 that it is possible to form x-ray holograms in reflection geometry by using the light scattered from a sample, opening the door to lensless imaging of a wealth of new material samples.

344

Compton backscattered collimated x-ray source  

SciTech Connect

A high-intensity, inexpensive and collimated x-ray source for applications such as x-ray lithography is disclosed. An intense pulse from a high power laser, stored in a high-finesse resonator, repetitively collides nearly head-on with and Compton backscatters off a bunched electron beam, having relatively low energy and circulating in a compact storage ring. Both the laser and the electron beams are tightly focused and matched at the interaction region inside the optical resonator. The laser-electron interaction not only gives rise to x-rays at the desired wavelength, but also cools and stabilizes the electrons against intrabeam scattering and Coulomb repulsion with each other in the storage ring. This cooling provides a compact, intense bunch of electrons suitable for many applications. In particular, a sufficient amount of x-rays can be generated by this device to make it an excellent and flexible Compton backscattered x-ray (CBX) source for high throughput x-ray lithography and many other applications.

Ruth, Ronald D. (Woodside, CA); Huang, Zhirong (Stanford, CA)

1998-01-01T23:59:59.000Z

345

Compton backscattered collmated X-ray source  

SciTech Connect

A high-intensity, inexpensive and collimated x-ray source for applications such as x-ray lithography is disclosed. An intense pulse from a high power laser, stored in a high-finesse resonator, repetitively collides nearly head-on with and Compton backscatters off a bunched electron beam, having relatively low energy and circulating in a compact storage ring. Both the laser and the electron beams are tightly focused and matched at the interaction region inside the optical resonator. The laser-electron interaction not only gives rise to x-rays at the desired wavelength, but also cools and stabilizes the electrons against intrabeam scattering and Coulomb repulsion with each other in the storage ring. This cooling provides a compact, intense bunch of electrons suitable for many applications. In particular, a sufficient amount of x-rays can be generated by this device to make it an excellent and flexible Compton backscattered x-ray (CBX) source for high throughput x-ray lithography and many other applications.

Ruth, Ronald D. (Woodside, CA); Huang, Zhirong (Stanford, CA)

2000-01-01T23:59:59.000Z

346

Lensless X-Ray Imaging in Reflection  

NLE Websites -- All DOE Office Websites (Extended Search)

Lensless X-Ray Imaging in Reflection Print 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 techniques that are proving to be integral to single-shot, high-resolution imaging of both complex materials and biological samples. Existing techniques are typically designed for transmission geometry, however, and use isolated objects, requiring special sample fabrication and restricting the type of samples under investigation. Recently, researchers from the ALS and the University of Oregon have shown at ALS Beamline 12.0.2 that it is possible to form x-ray holograms in reflection geometry by using the light scattered from a sample, opening the door to lensless imaging of a wealth of new material samples.

347

Method and apparatus for aerosol particle absorption spectroscopy  

DOE Patents (OSTI)

A method and apparatus for determining the absorption spectra, and other properties, of aerosol particles. A heating beam source provides a beam of electromagnetic energy which is scanned through the region of the spectrum which is of interest. Particles exposed to the heating beam which have absorption bands within the band width of the heating beam absorb energy from the beam. The particles are also illuminated by light of a wave length such that the light is scattered by the particles. The absorption spectra of the particles can thus be determined from an analysis of the scattered light since the absorption of energy by the particles will affect the way the light is scattered. Preferably the heating beam is modulated to simplify the analysis of the scattered light. In one embodiment the heating beam is intensity modulated so that the scattered light will also be intensity modulated when the particles absorb energy. In another embodiment the heating beam passes through an interferometer and the scattered light reflects the Fourier Transform of the absorption spectra.

Campillo, Anthony J. (Nesconset, NY); Lin, Horn-Bond (Manorville, NY)

1983-11-15T23:59:59.000Z

348

Non-MT Determination of X-Ray Absorption Cross-Section's Factorized Atomic Part in the Near-Edge Region. Application to Si K-Edge XANES Analysis in Beta-Zeolites  

SciTech Connect

An algorithm and code for the determination of the factorized atomic part of the absorption cross-section from experimental spectra in the XANES region were generated and tested on Al and Si K-edge XANES in reference compounds and applied to zeolite Beta with various Si/Al ratios. However, replacement of the theoretically determined background with the experimental absorption cross-section significantly improved the agreement with experiment. The spectral analysis showed that the XANES region can be used to extract detailed structural information when the Muffin-tin approximation can be avoided. Asymmetry in the silicon oxide tetrahedron was observed when increasing the aluminum content of the zeolite.

Bugaev, L. A.; Avakyan, L. A.; Latokha, Ya. V. [Physical Department of Rostov State University, Zorge str., 5, Rostov-on-Don, 344090 (Russian Federation); Bokhoven, J. A. van [Institute for Chemical and Bioengineering, ETH Zurich, 8093 Zurich (Switzerland)

2007-02-02T23:59:59.000Z

349

Kinematics of Compton backscattering x-ray source for angiography  

SciTech Connect

Calculations of X-Ray production rates, energy spread, and spectrum of Compton-backscattered photons from a Free Electron Laser on an electron beam in a low energy (136-MeV) compact (8.5-m circumference) storage ring indicate that an X-Ray intensity of 34.6 10{sup 7} X-Ray photons per 0.5-mm {times} 0.5-mm pixel for Coronary Angiography near the 33.169-keV iodine K-absorption edge can be achieved in a 4-msec pulse within a scattering cone of 1-mrad half angle. This intensity, at 10-m from the photon-electron interaction point to the patient is about a factor of 10 larger than presently achieved from a 4.5-T superconducting wiggler source in the NSLS 2.5-GeV storage ring and over an area about 5 times larger. The 2.2-keV energy spread of the Compton-backscattered beam is, however, much larger than the 70-eV spread presently attained form the wiggler source and use of a monochromator. The beam spot at the 10-m interaction point-to-patient distance is 20-mm diameter; larger spots are attainable at larger distances but with a corresponding reduction in X-Ray flux. Such a facility could be an inexpensive clinical alternative to present methods of non-invasive Digital Subtraction Angiography (DSA), small enough to be deployed in an urban medical center, and could have other medical, industrial and aerospace applications. Problems with the Compton backscattering source include laser beam heating of the mirror in the FEL oscillator optical cavity, achieving a large enough X-Ray beam spot at the patient, and obtaining radiation damping of the transverse oscillations and longitudinal emittance dilution of the storage ring electron beam resulting from photon-electron collisions without going to higher electron energy where the X-Ray energy spread becomes excessive for DSA. 38 refs.

Blumberg, L.N.

1992-05-01T23:59:59.000Z

350

Copper Ridges Nearly Double X-ray Sensor Performance  

Science Conference Proceedings (OSTI)

... Physics Letters,* can measure X-ray energies with an ... X-rays and measure the energy based on ... by NASA and the NIST Office of Microelectronics ...

2011-10-03T23:59:59.000Z

351

Sandia National Laboratories X-ray Tube with Magnetic Electron ...  

... for the U.S. Department of Energys National ... high average power large area X-ray tube provides increased X-ray generation efficiency through ...

352

Inelastic X-ray and Nuclear Resonant Scattering  

NLE Websites -- All DOE Office Websites (Extended Search)

Beamlines Divisions Argonne Home > Advanced Photon Source > Inelastic X-ray and Nuclear Resonant Scattering The Inelastic X-ray and Nuclear Resonant Scattering group...

353

Transient x-ray diffraction and its application to materials science and x-ray optics  

SciTech Connect

Time resolved x-ray diffraction and scattering have been applied to the measurement of a wide variety of physical phenomena from chemical reactions to shock wave physics. Interest in this method has heightened in recent years with the advent of versatile, high power, pulsed x-ray sources utilizing laser plasmas, electron beams and other methods. In this article, we will describe some of the fundamentals involved in time resolved x-ray diffraction, review some of the history of its development, and describe some recent progress in the field. In this article we will emphasize the use of laser-plasmas as the x-ray source for transient diffraction.

Hauer, A.A.; Kopp, R.; Cobble, J.; Kyrala, G.; Springer, R. [and others

1997-12-01T23:59:59.000Z

354

R-MATRIX ELECTRON-IMPACT EXCITATION OF Fe{sup 13+} AND ITS APPLICATION TO THE SOFT X-RAY AND EXTREME-ULTRAVIOLET SPECTROSCOPY OF CORONA-LIKE PLASMAS  

SciTech Connect

Accurate excitation parameters are required to interpret the ultraviolet and X-ray spectra of Fe{sup 13+}. In this work, we use the AUTOSTRUCTURE code to describe the atomic structure of Fe{sup 13+}. The 197 lowest-lying fine-structure levels of the 3s{sup x} 3p{sup y} 3d{sup z} (x + y + z = 3), 3s {sup 2}4l, and 3s3p4{l_brace}s, p, and d{r_brace} configurations are included along with further correlation configurations: 3s3p4f, 3p{sup x} 3d{sup y} 4l (x + y = 2), 3l4l'4l'', and 3l3l'5l''. The resultant level energies, lifetimes of excited states, and oscillator strengths of transitions between these levels are assessed by comparison with available experimental data and previous calculations. Electron-impact excitation data among these lowest-lying levels are generated using the intermediate-coupling frame transformation R-matrix method. We assess the present results by comparisons with laboratory measurement for the excitation to the metastable level 3s {sup 2}3p {sup 2} P {sup o} {sub 3/2} and with available close-coupling calculations for other excitations. Using these data and a collisional-radiative model, we have analyzed soft X-ray and extreme-ultraviolet spectra from space satellite observations of a stellar corona and of solar flares, as well as measurements from an electron beam ion trap. We assess the contribution from Fe{sup 13+} emission lines in the solar and Procyon corona observations, and find and identify new lines in the X-ray region observed in the solar and Procyon coronae. The laboratory measurements also confirm that weak lines (218.177 A and 224.354 A) of Fe{sup 13+} contribute to the observed intensities in solar observations. The polarization effect due to the directional monoenergetic distribution of the electron energy has been taken into account in comparison with the laboratory measurements. Electron density diagnostics for the astrophysical plasma sources have been performed using the updated data so as to investigate their sensitivity to the atomic data source.

Liang, G. Y.; Badnell, N. R. [Department of Physics, University of Strathclyde, Glasgow G4 0NG (United Kingdom); Crespo Lopez-Urrutia, J. R.; Baumann, T. M.; Tawara, H.; Ullrich, J. [Max-Planck-Institut fuer Kernphysik, Saupfercheckweg 1, 69117 Heidelberg (Germany); Del Zanna, G. [DAMTP, Centre for Mathematical Sciences, Wilberforce Road, Cambridge CB3 0WA (United Kingdom); Storey, P. J., E-mail: guiyun.liang@strath.ac.u [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

2010-10-15T23:59:59.000Z

355

X-ray variability and 1mHz oscillations in TT ARI  

E-Print Network (OSTI)

Using the archival ROSAT observation of TT Ari, X-ray energy spectra in different orbital phases and power spectra of the intensity time series are presented. Spectral fits show that the source gets brighter during the observation. The orbital modulation of the X-ray counting rate and bremsstrahlung temperature suggests that soft X-ray emission peaks in the orbital phase interval 0.75-0.90, when an outer disk hot spot is near the line of sight. This correlates with the orbital modulation of C IV($\\lambda$1549) absorption. Timing analysis indicates that while the source gets brighter, the frequency of the 1mHz oscillation is not correlated with X-ray intensity. This implies that in the X-rays from TT Ari, the beat frequency model is not appropriate for explaining the changes in the 1mHz oscillations. \\keywords{Accretion discs - stars: TT Ari - stars: cataclysmic variables - X-ray: binaries - X-rays

A. Bayka; A. Esendemir; U. Kiziloglu; M. A. Alpar; H. Ogelman; N. Ercan; G. Ikis

1995-03-13T23:59:59.000Z

356

Radiographic X-Ray Pulse Jitter  

Science Conference Proceedings (OSTI)

The Dual Beam Radiographic Facility consists of two identical radiographic sources. Major components of the machines are: Marx generator, water-filled pulse-forming line (PFL), water-filled coaxial transmission line, three-cell inductive voltage adder, and rod-pinch diode. The diode pulse has the following electrical specifications: 2.25-MV, 60-kA, 60-ns. Each source has the following x-ray parameters: 1-mm-diameter spot size, 4-rad at 1 m, 50-ns full width half max. The x-ray pulse is measured with PIN diode detectors. The sources were developed to produce high resolution images on single-shot, high-value experiments. For this application it is desirable to maintain a high level of reproducibility in source output. X-ray pulse jitter is a key metric for analysis of reproducibility. We will give measurements of x-ray jitter for each machine. It is expected that x-ray pulse jitter is predominantly due to PFL switch jitter, and therefore a correlation of the two will be discussed.

Mitton, C. V., Good, D. E., Henderson, D. J., Hogge, K. W.

2011-01-15T23:59:59.000Z

357

X-rays from HH 80, HH 81, and the Central Region  

E-Print Network (OSTI)

We report detections of X-rays from HH 80 and HH 81 with the ACIS instrument on the Chandra X-ray Observatory. These are among the most luminous HH sources in the optical and they are now the most luminous known in X-rays. These X-rays arise from the strong shocks that occur when the southern extension of this bipolar outflow slams into the ambient material. There is a one-to-one correspondence between regions of high X-ray emission and high H? emission. The X-ray luminosities of HH 80 and HH 81 are 4.5 and 4.3 x 1031 erg s-1, respectively, assuming the measured low-energy absorption is not in the sources. The measured temperature of the HH plasma is not as large as that expected from the maximum velocities seen in the extended tails of the optical emission lines. Rather it is consistent with the ~106 K temperature of the ?narrow? core of the optical lines. There is no observed emission from HH 80 North, the northern extension of the bipolar flow, based upon a measurement of lower sensitivity. We imaged the central region of the bipolar flow revealing a complex of X-ray sources including one near, but not coincident with the putative power source in the radio and infrared. This source, CXOPTM J181912.4-204733, has no counterparts at other wavelengths and is consistent in luminosity and spectrum with a massive star with AV ~ 90 mag. It may contribute significantly to the power input to the complex. Alternatively, this emission might be extended X-rays from outflows close to the power source. We detect 94 X-ray sources overall in this area of star formation.

Steven H. Pravdo; Yohko Tsuboi; Yoshitomo Maeda

2004-03-10T23:59:59.000Z

358

X-Ray Data from the X-Ray Data Booklet Online  

DOE Data Explorer (OSTI)

The original X-Ray Data Booklet, published in 1985, became a classic reference source. The online version has been significantly revised and updated to reflect today's science. Hundreds of pages of authoritative data provide the x-ray properties of elements, information on synchrotron radiation, scattering processes, optics and detectors, and other related calculations, formulas, and data tables.

Thompson, Albert C.; Attwood, David T.; Gullikson, Eric M.; Howells, Malcolm R.; Kortright, Jeffrey B.; Robinson, Arthur L.; Underwood, James H.; Kim, Kwang-Je; Kirz, Janos; Lindau, Ingolf; Pianetta, Piero; Winick, Herman; Williams, Gwyn P.; Scofield, James H.

359

RADIO AND X-RAY OBSERVATIONS OF SN 2006jd: ANOTHER STRONGLY INTERACTING TYPE IIn SUPERNOVA  

Science Conference Proceedings (OSTI)

We report four years of radio and X-ray monitoring of the Type IIn supernova SN 2006jd at radio wavelengths with the Very Large Array, Giant Metrewave Radio Telescope, and Expanded Very Large Array; at X-ray wavelengths with Chandra, XMM-Newton, and Swift-XRT. We assume that the radio and X-ray emitting particles are produced by shock interaction with a dense circumstellar medium. The radio emission shows an initial rise that can be attributed to free-free absorption by cool gas mixed into the nonthermal emitting region; external free-free absorption is disfavored because of the shape of the rising light curves and the low gas column density inferred along the line of sight to the emission region. The X-ray luminosity implies a preshock circumstellar density {approx}10{sup 6} cm{sup -3} at a radius r {approx} 2 Multiplication-Sign 10{sup 16} cm, but the column density inferred from the photoabsorption of X-rays along the line of sight suggests a significantly lower density. The implication may be an asymmetry in the interaction. The X-ray spectrum shows Fe line emission at 6.9 keV that is stronger than is expected for the conditions in the X-ray emitting gas. We suggest that cool gas mixed into the hot gas plays a role in the line emission. Our radio and X-ray data both suggest the density profile is flatter than r{sup -2} because of the slow evolution of the unabsorbed emission.

Chandra, Poonam [Department of Physics, Royal Military College of Canada, Kingston, ON K7K 7B4 (Canada); Chevalier, Roger A.; Irwin, Christopher M. [Department of Astronomy, University of Virginia, P.O. Box 400325, Charlottesville, VA 22904-4325 (United States); Chugai, Nikolai [Institute of Astronomy of Russian Academy of Sciences, Pyatnitskaya Street 48, 109017 Moscow (Russian Federation); Fransson, Claes [Department of Astronomy, Stockholm University, AlbaNova, SE-106 91 Stockholm (Sweden); Soderberg, Alicia M. [Smithsonian Astrophysical Observatory, 60 Garden Street, MS-20, Cambridge, MA 02138 (United States); Chakraborti, Sayan [Department of Astronomy and Astrophysics, Tata Institute of Fundamental Research, 1 Homi Bhabha Road, Colaba, Mumbai 400005 (India); Immler, Stefan, E-mail: Poonam.Chandra@rmc.ca [Astrophysics Science Division, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

2012-08-20T23:59:59.000Z

360

X Ray Scattering | U.S. DOE Office of Science (SC)  

Office of Science (SC) Website

X Ray Scattering X Ray Scattering Materials Sciences and Engineering (MSE) Division MSE Home About Research Areas Energy Frontier Research Centers (EFRCs) DOE Energy Innovation Hubs BES Funding Opportunities The Computational Materials and Chemical Sciences Network (CMCSN) Theoretical Condensed Matter Physics Scientific Highlights Reports and Activities Principal Investigators' Meetings BES Home Research Areas X Ray Scattering Print Text Size: A A A RSS Feeds FeedbackShare Page This activity supports basic research on the fundamental interactions of photons with matter to achieve an understanding of atomic, electronic, and magnetic structures and excitations and their relationships to materials properties. The main emphasis is on x-ray scattering, spectroscopy, and imaging research, primarily at major BES-supported user facilities.

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
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they are not comprehensive nor are they the most current set.
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361

Frontiers in X-Ray Science  

Science Conference Proceedings (OSTI)

The year 2010 marked the fiftieth anniversary of the optical laser and the first anniversary of the world's first hard x-ray free-electron laser, the Linac Coherent Light Source (LCLS) at SLAC. This exciting, new accelerator-based source of x-rays provides peak brilliances roughly a billion times greater than currently available from synchrotron sources such as the Advanced Photon Source at Argonne, and thus explores a qualitatively different parameter space. This talk will describe the first experiments at the LCLS aimed at understanding the nature of high intensity x-ray interactions, related applications in ultrafast imaging on the atomic scale and sketch nascent plans for the extension of both linac and storage-ring based photon sources.

Linda Young

2011-02-23T23:59:59.000Z

362

X-Ray Absorption and X-Ray Raman Scattering Studies of Battery ...  

Science Conference Proceedings (OSTI)

Knowledge of the redox chemistry and changes in the structure during electrochemical cycling is of paramount importance in designing new battery materials...

363

Radiobiological studies using gamma and x rays.  

Science Conference Proceedings (OSTI)

There are approximately 500 self-shielded research irradiators used in various facilities throughout the U.S. These facilities use radioactive sources containing either 137Cs or 60Co for a variety of biological investigations. A report from the National Academy of Sciences[1] described the issues with security of particular radiation sources and the desire for their replacement. The participants in this effort prepared two peer-reviewed publications to document the results of radiobiological studies performed using photons from 320-kV x rays and 137Cs on cell cultures and mice. The effectiveness of X rays was shown to vary with cell type.

Potter, Charles Augustus; Longley, Susan W.; Scott, Bobby R. [Lovelace Respiratory Research Institute, Albuquerque, NM; Lin, Yong [Lovelace Respiratory Research Institute, Albuquerque, NM; Wilder, Julie [Lovelace Respiratory Research Institute, Albuquerque, NM; Hutt, Julie A. [Lovelace Respiratory Research Institute, Albuquerque, NM; Padilla, Mabel T. [Lovelace Respiratory Research Institute, Albuquerque, NM; Gott, Katherine M. [Lovelace Respiratory Research Institute, Albuquerque, NM

2013-02-01T23:59:59.000Z

364

X-ray Science Division: Groups  

NLE Websites -- All DOE Office Websites (Extended Search)

Division: Groups Division: Groups Atomic, Molecular and Optical Physics (AMO) Primary Contact: Stephen Southworth Work focuses on understanding how strong optical and x-ray fields interact with matter, with an emphasis on photonic control of electronic, atomic and molecular motion. Chemical and Materials Science (CMS) Primary Contact: Randy Winans Research Disciplines: Chemistry, Materials Science Detectors (DET) Primary Contact: Antonino Miceli GMCA Structural Biology Facility (MX) Primary Contact: Robert Fischetti Research Disciplines: Biology, Life Sciences Imaging (IMG) Primary Contact: Francesco DeCarlo Research Disciplines: Materials Science, Biology, Physics, Life Sciences Inelastic X-ray & Nuclear Resonant Scattering (IXN) Primary Contact: Thomas Gog Research Disciplines: Condensed Matter Physics, Geophysics, Materials

365

Anomalous X-ray Diffraction Studies for Photovoltaic Applications  

DOE Green Energy (OSTI)

Anomalous X-ray Diffraction (AXRD) has become a useful technique in characterizing bulk and nanomaterials as it provides specific information about the crystal structure of materials. In this project we present the results of AXRD applied to materials for photovoltaic applications: ZnO loaded with Ga and ZnCo{sub 2}O{sub 4} spinel. The X-ray diffraction data collected for various energies were plotted in Origin software. The peaks were fitted using different functions including Pseudo Voigt, Gaussian, and Lorentzian. This fitting provided the integrated intensity data (peaks area values), which when plotted as a function of X-ray energies determined the material structure. For the first analyzed sample, Ga was not incorporated into the ZnO crystal structure. For the ZnCo{sub 2}O{sub 4} spinel Co was found in one or both tetrahedral and octahedral sites. The use of anomalous X-ray diffraction (AXRD) provides element and site specific information for the crystal structure of a material. This technique lets us correlate the structure to the electronic properties of the materials as it allows us to probe precise locations of cations in the spinel structure. What makes it possible is that in AXRD the diffraction pattern is measured at a number of energies near an X-ray absorption edge of an element of interest. The atomic scattering strength of an element varies near its absorption edge and hence the total intensity of the diffraction peak changes by changing the X-ray energy. Thus AXRD provides element specific structural information. This method can be applied to both crystalline and liquid materials. One of the advantages of AXRD in crystallography experiments is its sensitivity to neighboring elements in the periodic tables. This method is also sensitive to specific crystallographic phases and to a specific site in a phase. The main use of AXRD in this study is for transparent conductors (TCs) analysis. TCs are considered to be important materials because of their efficiency and low risk of environmental pollution. These materials are important to solar cells as a result of their remarkable combination of optical and electrical properties, including high electrical conductivity and high optical transparency in the spectrum of visible light. TCs provide a transparent window, which allows sunlight to pass through while also allowing electricity to conduct out of the cell. Spinel materials have the chemical form AB{sub 2}O{sub 4}, and are made of a face-centered cubic (FCC) lattice of oxygen anions and cations in specific interstitial sites. A normal spinel has all A cations on tetrahedral sites and B cations on octahedral sites. In contrast; an inverse spinel has the A and half of the B cations on octahedral sites and the other half of the B cations on tetrahedral sites; a mixed spinel lies between. In the spinel structure, 8 of 64 possible tetrahedral sites and 16 of 32 possible octahedral sites are filled. Normal spinels have particularly high conduction as the linear octahedral chains of B cations likely serve as conduction paths. In this paper we present how the data obtained with AXRD is used to analyze TCs properties as they apply to photovoltaic applications. One of the materials used for this analysis is zinc oxide. It has been loaded with 5% and 10% of Ga, which has an absorption edge of 10367 eV. The peak (100) was measured for the zinc oxide loaded with 10% Ga. In the case of 5% Ga, we measured peaks (100) and (101). With the information provided by the AXRD we can identify if Ga is being incorporated in the ZnO crystal structure. The analysis of 311 plane in the ZnCo{sub 2}O{sub 4} spinel shows if Co is in tetrahedral or octahedral site.

Not Available

2011-06-22T23:59:59.000Z

366

The Soft-X-Ray Spectral Shape of X-Ray-Weak Seyferts  

E-Print Network (OSTI)

(I) We observed eight Seyfert~2s and two X--ray--weak Seyfert~1/QSOs with the ROSAT PSPC, and one Seyfert~2 with the ROSAT HRI. These targets were selected from the Extended 12\\um\\ Galaxy Sample. (II) Both Seyfert~1/QSOs vary by factors of 1.5---2. The photon indices steepen in the more luminous state, consistent with the variability being mainly due to the softest X--rays, which are confined to a size of less than a parsec. (III) Both the Seyfert~2s and Seyfert~1/QSOs are best fit with a photon index of $\\Gamma\\sim3$, which is steeper than the canonical value of $\\Gamma\\sim1.7$ measured for X--ray--strong Seyferts by ROSAT and at higher energies. Several physical explanations are suggested for the steeper slopes of X--ray--weak objects. (IV) We observed one Seyfert~2, NGC~5005, with the ROSAT HRI, finding about 13\\% of the soft X--rays to come from an extended component. This and other observations suggest that different components to the soft X--ray spectrum of some, if not all, X--ray--weak Seyferts may come from spatially distinct regions.

Brian Rush; Matthew A. Malkan

1995-07-27T23:59:59.000Z

367

Sharper Focusing of Hard X-rays  

NLE Websites -- All DOE Office Websites (Extended Search)

Sharper Focusing of Hard X-rays FROM: Physics News Update Number 773 #1, April 12, 2006, by Phil Schewe and Ben Stein Note: This text has been slightly modified from the original. Sharper focusing of hard x-rays has been achieved with a device developed at Argonne National Lab. Because of their high energy, x-rays are hard to focus: they can be reflected from a surface but only at a glancing angle (less than a tenth of a degree); they can be refracted but the index of refraction is very close to 1, so that making efficient lenses becomes a problem; and they can be diffracted, but the relatively thick, variable pitch grating required for focusing is tricky to achieve. The Argonne device is of the diffraction type, and it consists of a stack of alternating layers of metal and silicon, made by depositing progressively thicker layers. When the x-rays fall on such a structure, nearly edge-on, what they see is a grating (called a linear zone plate) consisting of a sort of bar-code pattern.

368

Multiple wavelength x-ray monochromators  

DOE Patents (OSTI)

An apparatus and method is provided for separating input x-ray radiation containing first and second x-ray wavelengths into spatially separate first and second output radiation which contain the first and second x-ray wavelengths, respectively. The apparatus includes a crystalline diffractor which includes a first set of parallel crystal planes, where each of the planes is spaced a predetermined second distance from one another. The crystalline diffractor also includes a second set of parallel crystal planes inclined at an angle with respect to the first set of crystal planes where each of the planes of the second set of parallel crystal planes is spaced a predetermined second distance from one another. In one embodiment, the crystalline diffractor is comprised of a single crystal. In a second embodiment, the crystalline diffractor is comprised of a stack of two crystals. In a third embodiment, the crystalline diffractor includes a single crystal that is bent for focussing the separate first and second output x-ray radiation wavelengths into separate focal points.

Steinmeyer, P.A.

1991-01-01T23:59:59.000Z

369

Multiple wavelength x-ray monochromators  

DOE Patents (OSTI)

An apparatus and method is provided for separating input x-ray radiation containing first and second x-ray wavelengths into spatially separate first and second output radiation which contain the first and second x-ray wavelengths, respectively. The apparatus includes a crystalline diffractor which includes a first set of parallel crystal planes, where each of the planes is spaced a predetermined second distance from one another. The crystalline diffractor also includes a second set of parallel crystal planes inclined at an angle with respect to the first set of crystal planes where each of the planes of the second set of parallel crystal planes is spaced a predetermined second distance from one another. In one embodiment, the crystalline diffractor is comprised of a single crystal. In a second embodiment, the crystalline diffractor is comprised of a stack of two crystals. In a third embodiment, the crystalline diffractor includes a single crystal that is bent for focussing the separate first and second output x-ray radiation wavelengths into separate focal points.

Steinmeyer, P.A.

1991-12-31T23:59:59.000Z

370

Massively parallel X-ray scattering simulations  

Science Conference Proceedings (OSTI)

Although present X-ray scattering techniques can provide tremendous information on the nano-structural properties of materials that are valuable in the design and fabrication of energy-relevant nano-devices, a primary challenge remains in the analyses ...

Abhinav Sarje; Xiaoye S. Li; Slim Chourou; Elaine R. Chan; Alexander Hexemer

2012-11-01T23:59:59.000Z

371

X-Ray and Neutron Diffraction  

Science Conference Proceedings (OSTI)

Oct 20, 2010 ... Advanced X-Ray Scattering Techniques for Multi-Length Scale ... ?-Ti using the 3DXRD station 34-ID-E at the Advanced Photon Source, Argonne National Laboratory. ... Research at APS 34-ID-E, partly funded by BES/DOE.

372

Soft x-ray laser microscope  

Science Conference Proceedings (OSTI)

The program consisted of two phases (Phase I and Phase II). The goal of the Phase I (first year program) was to design and construct the Soft X-ray Laser Contact Microscope. Such microscope was constructed and adapted to PPL's 18.2nm soft X-ray Laser (SXL), which in turn was modified and prepared for microscopy experiments. Investigation of the photoresist response to 18.2nm laser radiation and transmissivity of 0.1m thick silicion-nitride (Si[sub 3]N[sub 4]) windows were important initial works. The goal of the first year of Phase II was to construct X-ray contact microscope in combination with existing optical phase microscope, already used by biologists. In the second year of Phase II study of dehydrated Horeseshoe Crab and Hela cancer cells were performed with COXRALM. Also during Phase II, the Imaging X-Ray Laser Microscope (IXRALM) was designed and constructed. This paper describes the development of each of the microscopes and their application for research.

Suckewer, P.I.

1990-10-01T23:59:59.000Z

373

Small Angle X-Ray Scattering Detector  

DOE Patents (OSTI)

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.

Hessler, Jan P.

2004-06-15T23:59:59.000Z

374

Analysis of hard X-ray eclipse in SS433 from INTEGRAL observations  

E-Print Network (OSTI)

The analysis of hard X-ray INTEGRAL observations (2003-2008) of superaccreting galactic microquasar SS433 at precessional phases of the source with the maximum disk opening angle is carried out. It is found that the shape and width of the primary X-ray eclipse is strongly variable suggesting additional absorption in dense stellar wind and gas outflows from the optical A7I-component and the wind-wind collision region. The independence of the observed hard X-ray spectrum on the accretion disk precessional phase suggests that hard X-ray emission (20-100 keV) is formed in an extended, hot, quasi-isothermal corona, probably heated by interaction of relativistic jet with inhomogeneous wind outflow from the precessing supercritical accretion disk. A joint modeling of X-ray eclipsing and precessional hard X-ray variability of SS433 revealed by INTEGRAL by a geometrical model suggests the binary mass ratio $q=m_x/m_v\\simeq 0.25\\div 0.5$. The absolute minimum of joint orbital and precessional $\\chi^2$ residuals is reac...

Cherepashchuk, A M; Postnov, K A; Antokhina, E A; Molkov, S V

2009-01-01T23:59:59.000Z

375

A CATALOG OF CHANDRA X-RAY SOURCES IN THE CARINA NEBULA  

Science Conference Proceedings (OSTI)

We present a catalog of {approx}14,000 X-ray sources observed by the ACIS instrument on the Chandra X-ray Observatory within a 1.42 deg{sup 2} survey of the Great Nebula in Carina, known as the Chandra Carina Complex Project (CCCP). This study appears in a special issue devoted to the CCCP. Here, we describe the data reduction and analysis procedures performed on the X-ray observations, including calibration and cleaning of the X-ray event data, point-source detection, and source extraction. The catalog appears to be complete across most of the field to an absorption-corrected total-band luminosity of {approx}10{sup 30.7} erg s{sup -1} for a typical low-mass pre-main-sequence star. Counterparts to the X-ray sources are identified in a variety of visual, near-infrared, and mid-infrared surveys. The X-ray and infrared source properties presented here form the basis of many CCCP studies of the young stellar populations in Carina.

Broos, Patrick S.; Townsley, Leisa K.; Feigelson, Eric D.; Getman, Konstantin V.; Garmire, Gordon P. [Department of Astronomy and Astrophysics, 525 Davey Laboratory, Pennsylvania State University, University Park, PA 16802 (United States); Preibisch, Thomas [Universitaets-Sternwarte, Ludwig-Maximilians-Universitaet, Scheinerstr. 1, 81679 Muenchen (Germany); Smith, Nathan [Steward Observatory, University of Arizona, 933 North Cherry Avenue, Tucson, AZ 85721 (United States); Babler, Brian L.; Meade, Marilyn R. [Department of Astronomy, University of Wisconsin, 475 N. Charter St., Madison, WI 53706 (United States); Hodgkin, Simon; Irwin, Mike; Lewis, Jim [Cambridge Astronomical Survey Unit, Institute of Astronomy, Madingley Road, Cambridge CB3 (United Kingdom); Indebetouw, Remy; Majewski, Steven R. [Department of Astronomy, University of Virginia, P.O. Box 400325, Charlottesville, VA 22904-4325 (United States); King, Robert R.; McCaughrean, Mark J. [Astrophysics Group, College of Engineering, Mathematics, and Physical Sciences, University of Exeter, Exeter EX4 4QL (United Kingdom); Zinnecker, Hans, E-mail: patb@astro.psu.edu [Astrophysikalisches Institut Potsdam, An der Sternwarte 16, 14482 Potsdam (Germany)

2011-05-01T23:59:59.000Z

376

Streaked x-ray spectrometer having a discrete selection of Bragg geometries for Omega  

Science Conference Proceedings (OSTI)

The streaked x-ray spectrometer (SXS) is used with streak cameras [D. H. Kalantar, P. M. Bell, R. L. Costa, B. A. Hammel, O. L. Landen, T. J. Orzechowski, J. D. Hares, and A. K. L. Dymoke-Bradshaw, in 22nd International Congress on High-Speed Photography and Photonics, edited by D. L. Paisley and A. M. Frank (SPIE, Bellingham, WA, 1997), Vol. 2869, p. 680] positioned with a ten-inch manipulator on OMEGA [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] and OMEGA EP [L. J. Waxer et al., Presented at CLEO/QELS 2008, San Jose, CA, 4-9 May 2008 (Paper JThB1)] for time-resolved, x-ray spectroscopy of laser-produced plasmas in the 1.4- to 20-keV photon-energy range. These experiments require measuring a portion of this photon-energy range to monitor a particular emission or absorption feature of interest. The SXS relies on a pinned mechanical reference system to create a discrete set of Bragg reflection geometries for a variety of crystals. A wide selection of spectral windows is achieved accurately and efficiently using this technique. It replaces the previous spectrometer designs that had a continuous Bragg angle adjustment and required a tedious alignment calibration procedure. The number of spectral windows needed for the SXS was determined by studying the spectral ranges selected by OMEGA users over the last decade. These selections are easily configured in the SXS using one of the 25 discrete Bragg reflection geometries and one of the six types of Bragg crystals, including two curved crystals.

Millecchia, M.; Regan, S. P.; Bahr, R. E.; Romanofsky, M.; Sorce, C. [Laboratory for Laser Energetics, University of Rochester, Rochester, New York 14623-1299 (United States)

2012-10-15T23:59:59.000Z

377

The spatial distributions of cooling gas and intrinsic X-ray absorbing material in cooling flows  

E-Print Network (OSTI)

We present the results from a study of the spatial distributions of cooling gas and intrinsic X-ray absorbing material in a sample of nearby, X-ray bright cooling flow clusters observed with the Position Sensitive Proportional Counter (PSPC) on ROSAT. Our method of analysis employs X-ray colour profiles, formed from ratios of the surface brightness profiles of the clusters in selected energy bands, and an adapted version of the deprojection code of Fabian et al. (1981). We show that all of the cooling flow clusters in our sample exhibit significant central concentrations of cooling gas. At larger radii the clusters appear approximately isothermal. In detail, the spatial distributions and emissivity of the cooling material are shown to be in excellent agreement with the predictions from the deprojection code, and can be used to constrain the ages of the cooling flows. The X-ray colour profiles also indicate substantial levels of intrinsic X-ray absorption in the clusters. The intrinsic absorption increases with decreasing radius, and is confined to the regions occupied by the cooling flows. We explore a range of likely spatial distributions for the absorbing gas and discuss the complexities

unknown authors

2008-01-01T23:59:59.000Z

378

Spatial Imaging And Speciation of Lead in the Accumulator Plant Sedum Alfredii By Microscopically Focused Synchrotron X-Ray Investigation  

Science Conference Proceedings (OSTI)

Sedum alfredii (Crassulaceae), a species native to China, has been characterized as a Zn/Cd cohyperaccumulator and Pb accumulator though the mechanisms of metal tolerance and accumulation are largely unknown. Here, the spatial distribution and speciation of Pb in tissues of the accumulator plant was investigated using synchrotron-based X-ray microfluorescence and powder Extended X-ray absorption fine structure (EXAFS) spectroscopy. Lead was predominantly restricted to the vascular bundles of both leaf and stem of the accumulator. Micro-XRF analysis revealed that Pb distributed predominantly within the areas of vascular bundles, and a positive correlation between the distribution patterns of S and Pb was observed. The dominant chemical form of Pb (>60%) in tissues of both accumulating (AE) and nonaccumulating ecotype (NAE) S. alfredii was similar to prepared Pb-cell wall compounds. However, the percentage of the Pb-cell wall complex is lower in the stem and leaf of AE, and a small amount of Pb appeared to be associated with SH-compounds. These results suggested a very low mobility of Pb out of vascular bundles, and that the metal is largely retained in the cell walls during transportation in plants of S. alfredii.

Tian, S.; Lu, L.; Yang, X.; Webb, S.M.; Du, Y.; Brown, P.H.; /SLAC

2012-08-23T23:59:59.000Z

379

Rise time measurement for ultrafast X-ray pulses  

Science Conference Proceedings (OSTI)

A pump-probe scheme measures the rise time of ultrafast x-ray pulses. Conventional high speed x-ray diagnostics (x-ray streak cameras, PIN diodes, diamond PCD devices) do not provide sufficient time resolution to resolve rise times of x-ray pulses on the order of 50 fs or less as they are being produced by modern fast x-ray sources. Here, we are describing a pump-probe technique that can be employed to measure events where detector resolution is insufficient to resolve the event. The scheme utilizes a diamond plate as an x-ray transducer and a p-polarized probe beam.

Celliers, Peter M. (Berkeley, CA); Weber, Franz A. (Oakland, CA); Moon, Stephen J. (Tracy, CA)

2005-04-05T23:59:59.000Z

380

Rise Time Measurement for Ultrafast X-Ray Pulses  

DOE Patents (OSTI)

A pump-probe scheme measures the rise time of ultrafast x-ray pulses. Conventional high speed x-ray diagnostics (x-ray streak cameras, PIN diodes, diamond PCD devices) do not provide sufficient time resolution to resolve rise times of x-ray pulses on the order of 50 fs or less as they are being produced by modern fast x-ray sources. Here, we are describing a pump-probe technique that can be employed to measure events where detector resolution is insufficient to resolve the event. The scheme utilizes a diamond plate as an x-ray transducer and a p-polarized probe beam.

Celliers, Peter M.; Weber, Franz A.; Moon, Stephen J.

2005-04-05T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


381

X-ray flashes and X-ray rich gamma ray bursts. Memorie della Societa Astronomica Italiana  

E-Print Network (OSTI)

Abstract. X-ray flashes are detected in the Wide Field Cameras on BeppoSAX in the energy range 2-25 keV as bright X-ray sources lasting of the order of minutes, but remaining undetected in the Gamma Ray Bursts Monitor on BeppoSAX. They have properties very similar to the x-ray counterparts of GRBs and account for some of the Fast X-ray Transient events seen in almost every x-ray satellite. We review their X-ray properties and show that x-ray flashes are in fact very soft, x-ray rich, untriggered gamma ray bursts, in which the peak energy in 2-10 keV x-rays could be up to a factor of 100 larger than the peak energy in the 50-300 keV gamma ray range. The frequency is ? 100 yr ?1. 1 Fast X-ray Transients/High-latitude X-ray Transients Fast X-ray Transients have been observed with many x-ray satellites. In particular they are seen with x-ray instruments that scan the entire sky on a regular basis. Such events are detected in one sky scan and disappeared in the next, typically limiting the duration to be longer than a minute and shorter than a few hours. For this reason they are called Fast Transients. The first transients

John Heise; Jean In t Z; Peter M. Woods

2001-01-01T23:59:59.000Z

382

Microsoft PowerPoint - SpectroscopyTechniques_XANES  

NLE Websites -- All DOE Office Websites (Extended Search)

Near Edge Spectroscopy (XANES) Near Edge Spectroscopy (XANES) XANES: XANES: * Element specific * Highly sensitive to bond angles, bond lengths, and the presence of adsorbates NEXAFS (Near Edge X-ray Absorption Fine Structure): * Synonymous with XANES but soft x-ray spectroscopy (< 1keV) * Fine structure within about 30 eV of the absorption edge EXAFS XANES / XRD C bi i S EXAFS-XANES / XRD Combination Spectroscopy * XAFS-XANES and XRD techniques give complementary information about the structure of materials. * XRD is effective in materials with medium- to long-range A typical XANES Spectrum XRD is effective in materials with medium to long range order while XAFS provides short-range information. *The simultaneous collection of the XRD and XAFS- XANES data in situ will allow

383

X-rays Illuminate Ancient Archimedes Text  

NLE Websites -- All DOE Office Websites (Extended Search)

Related Links: Related Links: May 2005 Headlines TIP Article Press Release Walters Art Museum SSRL Home Page SLAC Home Page Stanford Home Page Tuesday, 31 May 2005 X-rays Illuminate Ancient Archimedes Text (contact: Uwe Bergmann, bergmann@slac.stanford.edu) Archimedes Figure Image provided by Will Noel, The Walters Art Museum An early transcription of Archimedes' mathematical theories has been brought to light through the probing of high-intensity x-rays at SSRL's BL6-2. The text contains part of the Method of Mechanical Theorems, one of Archimedes' most important works, which was probably copied out by a scribe in the tenth century. The parchment on which it was written was later scraped down and reused as pages in a twelfth century prayer book, producing a document known as a palimpsest (which comes from the Greek,

384

HIGH BRILLIANCE X-RAY SCATTERING FOR  

NLE Websites -- All DOE Office Websites (Extended Search)

BRILLIANCE X-RAY SCATTERING FOR BRILLIANCE X-RAY SCATTERING FOR LIFE SCIENCES (LIX) Group Leader: Lin Yang Proposal Team: O. Bilsel 1 , B. Hsiao 2 , H. Huang 3 , T. Irving 4 , A. Menzel 5 , L. Pollack 6 , C. Riekel 7 , J. Rubert 8 , H. Tsuruta 9 , L. Yang 10 1 University of Massachusetts, 2 Stony Brook University, 3 Rice University, 4 IIT, 5SLS, 6 Cornell University, 7 European Synchrotron Radiation Facility, 8 NEU, 9 Stanford Synchrotron Radiation Lightsource, 10 Brookhaven National Laboratory TECHNIQUES AND CAPABILITIES APPLICATIONS ADDITIONAL INFORMATION * Energy range 2-20keV using undulator source. Simultaneous SAXS/WAXS to cover 0.003-3Å -1 at 12keV with 1 micron spot size * Time-resolved solution scattering with resolution of (1) microseconds to milliseconds using continuous-flow mixing (5µm x 10µm spot size) and (2) milliseconds using stopped-

385

High resolution x-ray microscope  

Science Conference Proceedings (OSTI)

The authors present x-ray images of grid meshes and biological material obtained using a microspot x-ray tube with a multilayer optic and a 92-element parabolic compound refractive lens (CRL) made of a plastic containing only hydrogen and carbon. Images obtained using this apparatus are compared with those using an area source with a spherical lens and a spherical lens with multilayer condenser. The authors found the best image quality using the multilayer condenser with a parabolic lens, compared to images with a spherical lens and without the multilayer optics. The resolution was measured using a 155-element parabolic CRL and a multilayer condenser with the microspot tube. The experiment demonstrates about 1.1 {mu}m resolution.

Gary, C. K.; Park, H.; Lombardo, L. W.; Piestrup, M. A.; Cremer, J. T.; Pantell, R. H.; Dudchik, Y. I. [Adelphi Technology, Inc. 981-B Industrial Road, San Carlos, California 94070 (United States); Department of Electrical Engineering, Stanford University, Stanford, California 94305 (United States); Institute of Applied Physics Problems, Kurchatova 7, Minsk 220064 (Belarus)

2007-04-30T23:59:59.000Z

386

Sample holder for x-ray diffractometry  

DOE Patents (OSTI)

A sample holder for use with x-ray diffractometers with the capability to rotate the sample, as well as to adjust the position of the sample in the x, y, and z directions. Adjustment in the x direction is accomplished through loosening set screws, moving a platform, and retightening the set screws. Motion translators are used for adjustment in the y and z directions. An electric motor rotates the sample, and receives power from the diffractometer.

Hesch, V.L.

1991-12-31T23:59:59.000Z

387

X-ray diffractometry of lanthanum-nickel-aluminum alloys  

DOE Green Energy (OSTI)

X-ray diffractometry provides much useful information on LANA alloys that complements data obtained by SEM and Electron Microprobe Analysis. Accurate measurements of the hexagonal lattice parameters of the primary LaNi{sub 5-y}Aly phase reveal the aluminum content (y) and allow the prediction of desorption pressures for the hydrogen isotopes. A study of the broadening of x-ray diffraction lines of the LaNi{sub 5-y}Aly primary phase caused by cyclic absorption and desorption of hydrogen suggests that substitution of aluminum for nickel stabilizes the primary phase with respect to formation of antistructure defects that could cause undesirable trapping of hydrogen isotopes. Correlation of XRD with SEM and EMPA results has helped identify secondary phases, determine their abundances in volume percent, and reveal how they react with hydrogen and the atmosphere. Characterizations of LANA alloys used in process development has provided the bases for development of specifications for alloys to be used in the Replacement Trittium Facility. 28 refs., 4 tabs., 12 figs.

Mosley, W.C.

1988-08-08T23:59:59.000Z

388

Ultra-sensitive surface absorption spectroscopy using sub-wavelength diameter optical fibers  

E-Print Network (OSTI)

The guided modes of sub-wavelength diameter air-clad optical fibers exhibit a pronounced evanescent field. The absorption of particles on the fiber surface is therefore readily detected via the fiber transmission. We show that the resulting absorption for a given surface coverage can be orders of magnitude higher than for conventional surface spectroscopy. As a demonstration, we present measurements on sub-monolayers of 3,4,9,10-perylene-tetracarboxylic dianhydride (PTCDA) molecules at ambient conditions, revealing the agglomeration dynamics on a second to minutes timescale.

F. Warken; E. Vetsch; D. Meschede; M. Sokolowski; A. Rauschenbeutel

2007-01-12T23:59:59.000Z

389

Hard X-ray Variability of AGN  

E-Print Network (OSTI)

Aims: Active Galactic Nuclei are known to be variable throughout the electromagnetic spectrum. An energy domain poorly studied in this respect is the hard X-ray range above 20 keV. Methods: The first 9 months of the Swift/BAT all-sky survey are used to study the 14 - 195 keV variability of the 44 brightest AGN. The sources have been selected due to their detection significance of >10 sigma. We tested the variability using a maximum likelihood estimator and by analysing the structure function. Results: Probing different time scales, it appears that the absorbed AGN are more variable than the unabsorbed ones. The same applies for the comparison of Seyfert 2 and Seyfert 1 objects. As expected the blazars show stronger variability. 15% of the non-blazar AGN show variability of >20% compared to the average flux on time scales of 20 days, and 30% show at least 10% flux variation. All the non-blazar AGN which show strong variability are low-luminosity objects with L(14-195 keV) < 1E44 erg/sec. Conclusions: Concerning the variability pattern, there is a tendency of unabsorbed or type 1 galaxies being less variable than the absorbed or type 2 objects at hardest X-rays. A more solid anti-correlation is found between variability and luminosity, which has been previously observed in soft X-rays, in the UV, and in the optical domain.

V. Beckmann; S. D. Barthelmy; T. J. -L. Courvoisier; N. Gehrels; S. Soldi; J. Tueller; G. Wendt

2007-09-14T23:59:59.000Z

390

Energy Determination of X-Ray Transition Energies Using the ...  

Science Conference Proceedings (OSTI)

... We chose to measure x-ray transition energies from NIST ... This resulted in the production of x-ray emission ... would yield not only an energy scale for ...

2012-10-02T23:59:59.000Z

391

SLAC National Accelerator Laboratory - SLAC's X-ray Laser Explores...  

NLE Websites -- All DOE Office Websites (Extended Search)

X-ray Laser Explores Big Data Frontier By Glenn Roberts Jr. June 12, 2013 It's no surprise that the data systems for SLAC's Linac Coherent Light Source X-ray laser have drawn...

392

Biological Imaging by Soft X-Ray Diffraction Microscopy  

NLE Websites -- All DOE Office Websites (Extended Search)

Biological Imaging by Soft X-Ray Diffraction Microscopy Print Electron and x-ray microscopes are a valuable tool for both the life and materials sciences, but they are limited in...

393

SLAC National Accelerator Laboratory - SLAC X-rays Help Discover...  

NLE Websites -- All DOE Office Websites (Extended Search)

which pulses 120 times a second. In the instant before the intense X-rays destroy a nanocrystal, detectors record a flash of X-ray diffraction information. Finally, scientists use...

394

Using Light to Control How X Rays Interact with Matter  

NLE Websites -- All DOE Office Websites (Extended Search)

Using Light to Control How X Rays Interact with Matter Using Light to Control How X Rays Interact with Matter Print Wednesday, 27 January 2010 00:00 Schemes that use one light...

395

Microstructural Mapping Using High-Energy X-Ray Scattering  

Science Conference Proceedings (OSTI)

Abstract Scope, Advanced characterization methods at the APS permit unique in- situ ... The combination of an undulator source, brilliance preserving optics and focusing .... Ultra-Small-Angle X-Ray ScatteringX-Ray Photon Correlation...

396

Characterization of fuel cell electrocatalysts using x-ray methods  

DOE Green Energy (OSTI)

High surface area electrocatalysts are critical components of high efficiency low cost polymer membrane fuel cells. The platinum and/or platinum alloy catalysts are typically prepared as nanocrystalline carbon supported and unsupported anode and cathode materials. The choice of catalyst type depends on whether the application is for hydrogen or direct methanol fuel cells (DMFCs). 2 nm crystallite size Pt supported on Vulcan XC-72 carbon is the anode and cathode catalyst most commonly used for hydrogen fuel cells while Pt-Ru alloys of 3-5 nm are currently being used for anode catalysts in DMFC systems. Key parameters for successful catalyst design are average alloy composition, crystal structure, crystallite composition crystallite size and size distribution. All of the aforementioned parameters can be efficently and nondistructively measured using laboratory scale X-ray analysis methods. Recent advances in personal computer technology allow for full profile (Rietveld) and Warren-Averbach Fourier transform X-ray diffraction methods to be performed quickly and routinely. Full profile, also known as whole pattern analysis methods, model the entire X-ray diffraction pattern rather than just peak maxima. Highly overlapped diffraction patterns are very common in nanocrystalline materials due to size related line broadening phenomena. Full profile methods allow for the precise determination of lattice parameters and accurate measurement of individual diffraction line intensities. Phase fractions and percentages of amorphous material can also be estimated using full profile analysis techniques. Warren-Averbach Fourier transform methods allow for the determination of particle size distributions. This method offers advantages in speed and cost over electron microscopic analysis methods to obtain crystallite size distributions. Fundamental parameter X-ray fluorescence spectroscopy methods allows for the rapid accurate determination of catalyst composition and mass loadings on raw materials and membrane electrode assemblies. Another advantage of this method over older empirical standard methods is the elimination of many calibration standards of different compositions. The fundamental parameter method needs only a single standard per element for calibration. We have analyzed a large number of Pt and Pt/Ru based catalysts prepared by various synthesis techniques. These methods include unsupported and supported catalysts prepared by: colloidal precipitation, spray pyrolysis and ultrasonic atomization freeze drying methods. As prepared catalysts vary substantially crystallite size and size distribution. The degree of crystallinity, alloy composition and oxidation state also vary substantially with preparation method.

Garzon, F. H. (Fernando H.); Brosha, E. L. (Eric L.); Zawodzinski, C. (Christine); Ren, X. (Xiaoming)

2001-01-01T23:59:59.000Z

397

Electron and X-Ray Microscopy: Structural Characterization of ...  

Science Conference Proceedings (OSTI)

Oct 28, 2009 ... Recent Advances in Structural Characterization of Materials: Electron and X-Ray Microscopy: Structural Characterization of Nanoscale...

398

X-ray Microscopy and Imaging: 2-BM  

NLE Websites -- All DOE Office Websites (Extended Search)

BM BM Introduction The 2-BM beamline offers measurement capabilities for x-ray microtomography, x-ray topography and x-ray microdiffraction. X-ray microtomography and x-ray diffraction instruments are installed on separate optical tables for independent operation with fast switch over time. Optically-coupled high-resolution CCD system is used for microtomography and topography with up to 1 micron spatial resolution. X-ray microdiffraction setup consists of KB microfocussing mirrors (~3 micron minimum spot), four-circle Huber diffractometer, high-precision translation sample stage, two orthogonally-mounted video cameras for viewing sample, fluorescence detector (Si-drift diode) and diffraction detector (a scintillation detector or a CCD). Three different levels of monochromaticity are available. Conventional monochromatic x-rays from a double-bounced Si (111) crystal monochromator (DCM, D E/E=1E-4), wide band-pass monochromatic x-rays from a double multilayer monochromator (DMM, D E/E=1~4E-2) and pink beam. The available x-ray range is from 5 keV to 30 keV. The lower limit is due to the x-ray windows and the upper limit is due to the critical angle of the x-ray mirror. Two different coatings (Cr and Pt) for the x-ray mirror allow either 20 keV or 30 keV energy cutoff.

399

Phase Contrast Microscopy with Soft and Hard X-rays  

E-Print Network (OSTI)

Calibration ­ Uses up part of dynamic range · Solution: ­ Soft x-rays: Back side Illumination ­ Hard xPhase Contrast Microscopy with Soft and Hard X-rays Using a Segmented Detector Benjamin Hornberger ­ Phase Contrast 101 · A Segmented Detector for Hard X-ray Microprobes ­ Segmented Silicon Chip ­ Charge

Homes, Christopher C.

400

Applications and source development for high-repetition rate x-ray lasers  

Science Conference Proceedings (OSTI)

Many applications in material science, chemistry, and atomic physics require an x-ray source that has a repetition rate of 1 Hz to a few kHz. In these fields, a very wide range of photon energies is of interest. One application is time-resolved surface photoelectron spectroscopy and microscopy where low energy (energies below 100 eV are very good with higher energy capabilities expected in the future. In addition, prospects of table-top size x-ray lasers with kHz repetition rates are presented.

Eder, D.C.; Amendt, P.; Bolton, P.R. [and others

1993-07-30T23:59:59.000Z

Note: This page contains sample records for the topic "x-ray absorption spectroscopy" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


401

Extended X-Ray Absorption Fine Structure (EXAFS) Studies of ...  

Science Conference Proceedings (OSTI)

In present studies, EXAFS is used to investigate changes in molecular structure ... Structural and Thermal Stability Properties of Cellulose Nanocomposites with...

402

Determining the Uncertainty of X-Ray Absorption ...  

Science Conference Proceedings (OSTI)

... is transmitted through a specimen reaches a detector crystal that may be composed of NaI or a combination of cadmium, zinc, and tellurium (CZT). ...

2005-01-28T23:59:59.000Z

403

High-resolution absorption spectroscopy of the circumgalactic medium of the Milky Way  

E-Print Network (OSTI)

In this article we discuss the importance of high-resolution absorption spectroscopy for our understanding of the distribution and physical nature of the gaseous circumgalactic medium (CGM) that surrounds the Milky Way. Observational and theoretical studies indicate a high complexity of the gas kinematics and an extreme multi-phase nature of the CGM in low-redshift galaxies. High-precision absorption-line measurements of the Milky Way's gas environment thus are essential to explore fundamental parameters of circumgalactic gas in the local Universe, such as mass, chemical composition, and spatial distribution. We shortly review important characteristics of the Milky Way's CGM and discuss recent results from our multi-wavelength observations of the Magellanic Stream. Finally, we discuss the potential of studying the warm-hot phase of the Milky Way's CGM by searching for extremely weak [FeX] l6374.5 and [FeIVX] l5302.9 absorption in optical QSO spectra.

Richter, P; Bekhti, N Ben; Murphy, M T; Bomans, D; Frank, S

2013-01-01T23:59:59.000Z

404

THE HARD X-RAY SPECTRUM OF NGC 1365: SCATTERED LIGHT, NOT BLACK HOLE SPIN  

SciTech Connect

Active galactic nuclei (AGNs) show excess X-ray emission above 10 keV compared with extrapolation of spectra from lower energies. Risaliti et al. have recently attempted to model the hard X-ray excess in the type 1.8 AGN NGC 1365, concluding that the hard excess most likely arises from Compton-scattered reflection of X-rays from an inner accretion disk close to the black hole. Their analysis disfavored a model in which the hard excess arises from a high column density of circumnuclear gas partially covering a primary X-ray source, despite such components being required in the NGC 1365 data below 10 keV. Using a Monte Carlo radiative transfer approach, we demonstrate that this conclusion is invalidated by (1) use of slab absorption models, which have unrealistic transmission spectra for partial covering gas, (2) neglect of the effect of Compton scattering on transmitted spectra, and (3) inadequate modeling of the spectrum of scattered X-rays. The scattered spectrum is geometry-dependent and, for high global covering factors, may dominate above 10 keV. We further show that, in models of circumnuclear gas, the suppression of the observed hard X-ray flux by reprocessing may be no larger than required by the ''light bending'' model invoked for inner disk reflection, and the expected emission line strengths lie within the observed range. We conclude that the time-invariant ''red wing'' in AGN X-ray spectra is probably caused by continuum transmitted through and scattered from circumnuclear gas, not by highly redshifted line emission, and that measurement of black hole spin is not possible.

Miller, L. [Department of Physics, Oxford University, Denys Wilkinson Building, Keble Road, Oxford OX1 3RH (United Kingdom); Turner, T. J. [Department of Physics, University of Maryland Baltimore County, Baltimore, MD 21250 (United States)

2013-08-10T23:59:59.000Z

405

Quantitative Analysis of Mt. St. Helens Ash by X-Ray Diffraction and X-Ray Fluorescence Spectrometry  

Science Conference Proceedings (OSTI)

A quantitative study by x-ray diffraction, optical polarizing microscopy, and x-ray fluorescence spectrometry of fallout and ambient ash from three Mt. St. Helens eruptions has revealed a consistent picture of the mineralogical and elemental ...

Briant L. Davis; L. Ronald Johnson; Dana T. Griffen; William Revell Phillips; Robert K. Stevens; David Maughan

1981-08-01T23:59:59.000Z

406

X-ray preheating of window materials in direct-drive shock-wave timing experiments  

Science Conference Proceedings (OSTI)

The optical properties of x-ray preheated planar-window materials relevant for shock-wave timing experiments were studied on the OMEGA Laser System. The x-ray radiation was generated by 100 ps, 1x10{sup 15} W/cm{sup 2} laser pulses incident on planar plastic targets, instantaneously affecting samples located {approx}0.7 mm away. An abrupt onset of strong absorption of an optical probe beam ({lambda}=532 nm) and a temporally varying refractive index were measured in polystyrene and diamond windows. The behavior of diamond windows exposed to x rays is consistent with a simple model based on the generation of free charge carriers. Polystyrene windows showed indications of optical transitions due to molecular states that are created by the ionizing radiation.

Theobald, W.; Miller, J. E.; Boehly, T. R.; Vianello, E.; Meyerhofer, D. D.; Sangster, T. C.; Eggert, J.; Celliers, P. M. [Laboratory for Laser Energetics, University of Rochester, 250 East River Road, Rochester, New York 14623-1299 (United States); Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)

2006-12-15T23:59:59.000Z

407

Absolute x-ray energy calibration over a wide energy range using a diffraction-based iterative method  

SciTech Connect

In this paper, we report a method of precise and fast absolute x-ray energy calibration over a wide energy range using an iterative x-ray diffraction based method. Although accurate x-ray energy calibration is indispensable for x-ray energy-sensitive scattering and diffraction experiments, there is still a lack of effective methods to precisely calibrate energy over a wide range, especially when normal transmission monitoring is not an option and complicated micro-focusing optics are fixed in place. It is found that by using an iterative algorithm the x-ray energy is only tied to the relative offset of sample-to-detector distance, which can be readily varied with high precision of the order of 10{sup -5}-10{sup -6} spatial resolution using gauge blocks. Even starting with arbitrary initial values of 0.1 A, 0.3 A, and 0.4 A, the iteration process converges to a value within 3.5 eV for 31.122 keV x-rays after three iterations. Different common diffraction standards CeO{sub 2}, Au, and Si show an energy deviation of 14 eV. As an application, the proposed method has been applied to determine the energy-sensitive first sharp diffraction peak of network forming GeO{sub 2} glass at high pressure, exhibiting a distinct behavior in the pressure range of 2-4 GPa. Another application presented is pair distribution function measurement using calibrated high-energy x-rays at 82.273 keV. Unlike the traditional x-ray absorption-based calibration method, the proposed approach does not rely on any edges of specific elements, and is applicable to the hard x-ray region where no appropriate absorption edge is available.

Hong Xinguo; Chen Zhiqiang [Mineral Physics Institute, Stony Brook University, Stony Brook, New York 11794 (United States); Duffy, Thomas S. [Department of Geosciences, Princeton University, Princeton, New Jersey 08544 (United States)

2012-06-15T23:59:59.000Z

408

X-Ray Shines Light on Water Mystery  

DOE Green Energy (OSTI)

Water is the key compound for our existence on this planet and it is involved in many important physical, chemical, biological and geological processes. Although water is the most common molecular substance it is also most unusual with many anomalies in its thermodynamic properties such as compressibility, density variation and heat capacity. The question of the structure of the hydrogen bonding network in water has been discussed intensively for over 100 years and has not yet been resolved. This talk will describe recent x-ray spectroscopy and scattering measurements showing that the liquid can be described as fluctuations between two types of local hydrogen bonded structures driven by in commensurate requirements for minimizing enthalpy and maximizing entropy.

Nilsson, Anders (SLAC)

2010-11-17T23:59:59.000Z

409

High Quality Image of Biomedical Object by X-ray Refraction Based Contrast Computed Tomography  

SciTech Connect

Recently we have developed a new Computed Tomography (CT) algorithm for refraction contrast that uses the optics of diffraction-enhanced imaging. We applied this new method to visualize soft tissue which is not visualized by the current absorption based contrast. The meaning of the contrast that appears in refraction-contrast X-ray CT images must be clarified from a biologic or anatomic point of view. It has been reported that the contrast is made with the specific gravity map with a range of approximately 10 {mu}arc sec. However, the relationship between the contrast and biologic or anatomic findings has not been investigated, to our knowledge. We compared refraction-contrast X-ray CT images with microscopic X-ray images, and we evaluated refractive indexes of pathologic lesions on phase-contrast X-ray CT images. We focused our attenuation of breast cancer and lung cancer as samples. X-ray refraction based Computed Tomography was appeared to be a pathological ability to depict the boundary between cancer nest and normal tissue, and inner structure of the disease.

Hashimoto, E. [Department of Photon-Science, School of Advanced Studies, Graduate University for Advanced Studies (GUAS), Shonan Village, Hayama, Kanagawa 240-0193 (Japan); Maksimenko, A.; Hirano, K.; Hyodo, K. [Photon Factory, Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Sugiyama, H. [Department of Photon-Science, School of Advanced Studies, Graduate University for Advanced Studies (GUAS), Shonan Village, Hayama, Kanagawa 240-0193 (Japan); Photon Factory, Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Shimao, D. [Department of Health Sciences, Ibaraki prefectural University of Health Sciences, 4669-2Ami, Ami, Inashiki, Ibaraki, 300-0394 (Japan); Nishino, Y.; Ishikawa, T. [RIKEN Harima Institute, 1-1-1 Kouto, Mikazuki, Sayo, Hyogo, 679-5148 (Japan); Yuasa, T. [Department of Bio-system Engineering, Faculty of Engineering Yamagata University, 4-3-16 Jonan, Yonezawa, Yamagata 992-8510 (Japan); Ichihara, S. [Dept. of Path., Nagoya Med. Center, Nat. Hospital Organization, Naka-ku, Nagoya 460-0001 (Japan); Arai, Y. [Matsumoto Dental University, 1980 Hirooka, Shiojiri, Nagano (Japan); Ando, M. [Department of Photon-Science, School of Advanced Studies, Graduate University for Advanced Studies (GUAS), Shonan Village, Hayama, Kanagawa 240-0193 (Japan); Photon Factory, Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Inst. of Sci. and Tech., Tokyo Univ. of Science, Yamasaki 2641, Noda, Chiba 278-8510 (Japan)

2007-01-19T23:59:59.000Z

410

X-Ray Imaging Crystal Spectrometer for Extended X-Ray Sources  

DOE Patents (OSTI)

Spherically or toroidally curved, double focusing crystals are used in a spectrometer for X-ray diagnostics of an extended X-ray source such as a hot plasma produced in a tokamak fusion experiment to provide spatially and temporally resolved data on plasma parameters such as ion temperature, toroidal and poloidal rotation, electron temperature, impurity ion charge-state distributions, and impurity transport. The imaging properties of these spherically or toroidally curved crystals provide both spectrally and spatially resolved X-ray data from the plasma using only one small spherically or toroidally curved crystal, thus eliminating the requirement for a large array of crystal spectrometers and the need to cross-calibrate the various crystals.

Bitter, Manfred L.; Fraekel, Benjamin; Gorman, James L.; Hill, Kenneth W.; Roquemore, Lane A.; Stodiek, Wolfgang; Goeler, Schweickhard von

1999-05-01T23:59:59.000Z

411

Soft x-ray spectromicroscopy development for materials science at the Advanced Light Source  

Science Conference Proceedings (OSTI)

Several third generation synchrotron radiation facilities are now operational and the high brightness of these photon sources offers new opportunities for x-ray microscopy. Well developed synchrotron radiation spectroscopy techniques are being applied in new instruments capable of imaging the surface of a material with a spatial resolution smaller than one micron. There are two aspects to this. One is to further the field of surface science by exploring the effects of spatial variations across a surface on a scale not previously accessible to x-ray measurements. The other is to open up new analytical techniques in materials science using x-rays, on a spatial scale comparable to that of the processes or devices to be studied. The development of the spectromicroscopy program at the Advanced Light Source will employ a variety of instruments, some are already operational. Their development and use will be discussed, and recent results will be presented to illustrate their capabilities.

Warwick, T.; Padmore, H. [Lawrence Berkeley National Lab., CA (United States); Ade, H. [North Carolina State Univ., Raleigh, NC (United States); Hitchcock, A.P. [McMaster Univ., Hamilton, Ontario (Canada); Rightor, E.G. [Dow Texas Polymer Center, Freeport, TX (United States); Tonner, B.P. [Univ. of Wisconsin, Milwaukee, WI (United States)

1996-08-01T23:59:59.000Z

412

Calibrating X-ray Imaging Devices for Accurate Intensity Measurement  

SciTech Connect

The purpose of the project presented is to develop methods to accurately calibrate X-ray imaging devices. The approach was to develop X-ray source systems suitable for this endeavor and to develop