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1
Quantitative Interpretation of X-Ray Absorption Near Edge Structure
2002-12-31

X-ray spectroscopy codes were applied to achieve quantitative interpretation of x-ray absorption near edge structure

Energy Citations Database

2
The use of C-near edge X-ray absorption fine structure spectroscopy for the elaboration of chemistry in ...

The research presented elucidates the oxidation chemistry occurring in hydrogen peroxide bleached kraft pulp fibers by employing carbon near edge x-ray ... ...

NBII National Biological Information Infrastructure

3
Carbon K -shell near-edge structure: Multiple scattering and band-theory calculations
1989-08-15

The carbon {ital K}-shell near-edge absorption fine structure of both diamond and graphite has been calculated by the multiple-scattering method and by a single-particle self-consistent pseudo-atomic-orbital band-theory method. We compare the results of these two calculations with experiment, and show that they both give agreement with ...

Energy Citations Database

4
Application of EXAFS and XANES (Extended X-ray Absorption Fine Structure and X-ray Absorption Near Edge Structure) to Metalloproteins.
1986-01-01

Since the first experiment on an intense synchrotron radiation source ten years ago, EXAFS (Extended X-ray Absorption Fine Structure) and XANES (X-ray Absorption Near Edge Structure), have become a routine technique for investigating the environment of me...

National Technical Information Service (NTIS)

5
Two-Center, Two Electron Excitations Identified in NEXAFS for ...
1994-09-01

... Experimental K-edge NEXAFS (near edge X-ray absorption fine structure) data for solid Ne are compared with theoretical results. ...

DTIC Science & Technology

6
Polyheterocycle Langmuir-Blodgett Films
1989-05-29

... Recently, Near Edge X-ray Absorption Fine Structure (NEXAFS ... Using the highly polarized x-ray beam of the ... The carbon k-edge NEXAFS spectra of ...

DTIC Science & Technology

7
Polyheterocycle Langmuir-Blodgett Film
1990-08-03

... Recently, Near Edge X-ray Absorption Fine Structure (NEXAFS ... Using the highly polarized x-ray beam of the ... The carbon k-edge NEXAFS spectra of ...

DTIC Science & Technology

8
Novel visualization studies of lignocellulosic oxidation chemistry ...

Jun 16, 2011 ... Title: Novel visualization studies of lignocellulosic oxidation chemistry by application of C-near edge X-ray absorption fine structure ...

Treesearch

9
Mapping the Nanoscale Landscape
2011-08-06

near-edge x-ray absorption fine-structure (NEXAFS) spectroscopy, allows for quantitative determination of submicron polymer blend composition. At a lateral resolution of 50 nm,...

Science.gov Websites

10
X-ray absorption near edge theory. Final report.
1997-01-01

One of the long term research goals has been to attain a quantitative theory of deep core X-ray spectroscopies. These spectroscopies include X-ray absorption fine structure (XAFS), X-ray absorption near edge structure (XANES), X-ray magnetic circular dich...

National Technical Information Service (NTIS)

11
Orientational Behavior of Thin Films of Poly(3-Methylthiophene) on Platinium: A FTIR And Near Edge X-Ray Absorption Fine Structure (NEXAFS) Study.
1988-01-01

Near edge x-ray absorption fine structure (NEXAFS) and infrared reflection-absorption spectroscopy (IRRAS) have been used to study the orientational behavior of thin films of poly(3-methylthiophene) electrochemically polymerized on a platinum surface. Cle...

National Technical Information Service (NTIS)

12
Valence Determination in High T/sub C/ Oxide Superconductors by XANES (X-Ray Absorption Near Edge Structure) and Moessbauer Spectroscopy.
1987-01-01

The question of valence of Cu and rare-earth atoms in the newly discovered oxide superconductors with high transition temperatures is crucial to the understanding of their electronic structure. X-Ray Absorption Near Edge Structure and Moessbauer Spectrosc...

National Technical Information Service (NTIS)

13
XANES (X-ray Absorption Near Edge Structure) investigation of cerium as an inhibitor for Al alloys
1991-01-01

Cerium ions are under investigation as possible replacements for toxic chromates. The use of cerium ions as corrosion inhibitors for aluminum alloys is investigated using XANES (x-ray absorption near edge structure). On immersion in a dilute solution of cerium ions, cerium is incorporated into the oxide films on ...

DOE Information Bridge

14
Understanding of the X-ray Absorption Near Edge Structure of Cu(II) Imidazole Complexes.
1990-01-01

Detailed multiple scattering calculations have been carried out to understand the K-edge x-ray absorption near edge structure (XANES) of a number of copper(II) imidazole compounds. Results are presented which show that each of the spectral features observ...

National Technical Information Service (NTIS)

15
Stereochemistry of Copper in Superoxide Dismutase in Solution from X-ray Absorption Near Edge Structures (XANES).
1986-01-01

Detailed multiple scattering calculations have been carried out to understand the x-ray absorption near edge structure (XANES) of a number of copper imidazole compounds which show EXAFS and XANES spectra akin to the copper site of the freeze-dried and aqu...

National Technical Information Service (NTIS)

16
Platinum Surface Chemistry Studied by Thermal Desorption Spectrometry and Near Edge X-Ray Absorption Fine Structure: Adsorbate Effects.
1986-01-01

The surface chemistry of hydrocarbons, particularly aromatic hydrocarbons, adsorbed on Pt(111) was investigated by Thermal Desorption Spectrometry (TDS) and Near Edge X-ray Absorption Fine Structure (NEXAFS). The utility of NEXAFS in the investigation of ...

National Technical Information Service (NTIS)

17
Near-edge x-ray absorption fine structure examination of chemical bonding in sputter deposited boron and boron-nitride films.
1996-01-01

Near-edge x-ray absorption fine structure (NEXAFS) is used to examine the chemical bonding in boron and boron-nitride films sputter deposited from a fully-dense, pure boron target. Reactive sputtering is used to prepare the boron-nitride and multilayered ...

National Technical Information Service (NTIS)

18
Near-Edge X-ray Absorption Fine Structure Spectroscopy of MDI and TDI Polyurethane Polymers

Near-Edge X-ray Absorption Fine Structure Spectroscopy of MDI and TDI Polyurethane Polymers Stephen) to differences in key chemical components of polyurethane polymers is presented. Carbon 1s NEXAFS spectra of polyurethane polymers made from 4,4-methylene di-p-phenylene isocyanate (MDI) and toluene diisocyanate (TDI

E-print Network

19
Microanalysis of Iron Oxidation State in Iron Oxides Using X ray Absorption Near Edge Structure (XANES).
1993-01-01

An exploratory application of x ray absorption near edge structure (XANES) analysis using the synchrotron x ray microprobe was undertaken to obtain Fe XANES spectra on individual sub-millimeter grains in conventional polished sections. The experiments con...

National Technical Information Service (NTIS)

20
L shell XANES (X-ray absorption near edge structure) for solid metals: Ti, V, Cr, Fe, Ni, Cu.
1990-01-01

The L shell x-ray absorption near edge structure (XANES) for the 3d transition metals Ca-Cu is dominated by atomic-like behavior which is poorly understood. It has been studied by electron energy loss spectroscopy (EELS) and bremsstrahlung isochromat spec...

National Technical Information Service (NTIS)

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21
Synchrotron radiation and its application to chemical speciation: A review.
1990-01-01

Synchrotron radiation can be used in Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Structure (XANES) experimental modes to extract information concerning chemical speciation of elements at trace concentration levels. The ...

National Technical Information Service (NTIS)

22
Nano-interconnection for microelectronics and polymers with benzo ...

Absorption Fine Structure (NEXAFS) or X-ray Absorption Near-Edge Structure ( XANES), .... Japanese Journal of Applied Physics Part 2-Letters 33 (1b) pp.l125- ...

NASA Website

23
Use of x-ray techniques in the in situ study of corrosion.
1992-01-01

Applications of x-ray absorption and fluorescence techniques for in situ chemistry studies of passivity and localized corrosion have been described. X-ray absorption near edge structures showed that rapidly grown oxides on aluminum-chromium alloys incorpo...

National Technical Information Service (NTIS)

24
Applications of Synchrotron Radiation in Biophysics.
1983-01-01

EXAFS (Extended X-ray Absorption Fine Structure) and XANES (X-ray Absorption Near Edge Spectra) applied to some problems of biophysics interest are discussed. (Atomindex citation 16:067442)

National Technical Information Service (NTIS)

25
The ISM seen at unprecedented resolution

o Dust: prominent iron features (Fe L and K-edge), absent in IR band ... XANES ( Xray Absorption Near Edge Structure). + EXAFS (Extended X-ray absorption ...

NASA Website

26
X-ray Absorption Spectroscopy (EXAFS and XANES (Extended X-ray Absorption Fine Structure and X-ray Absorption Near Edge Structure)) at Surfaces.
1986-01-01

X-ray absorption spectroscopy is now being applied to the study of a wide range of surface structures. The usefulness of surface EXAFS (SEXAFS) is illustrated by reviewing measurements on the oxidation of aluminum, the absorption of Te and I on silicon an...

National Technical Information Service (NTIS)

27
Near-Edge X-ray Absorption Fine Structure Spectroscopy of Diamondoid Thiol Monolayers on Gold.
2007-01-01

Diamondoids, hydrocarbon molecules with cubic-diamond-cage structures, have unique properties with potential value for nanotechnology. The availability and ability to selectively functionalize this special class of nanodiamond materials opens new possibil...

National Technical Information Service (NTIS)

28
Near-Edge Study of Gold-Substituted YBa2Cu30(7-delta).
1991-01-01

The valence of Cu and Au in YBa2Au0.3Cu2.7O7-delta was investigated using x-ray absorption near edge structure (XANES). X-ray and neutron diffraction studies indicate that Au goes on the Cu(1) site and Cu K-edge XANES shows that this has little effect on ...

National Technical Information Service (NTIS)

29
X-ray absorption near edge structure investigation of vanadium-doped ZnO thin films

X-ray absorption near edge structure investigation of vanadium-doped ZnO thin films M. Faiz a,, N to investigate the electronic and atomic structure of vanadium-doped ZnO thin films obtained by reactive plasma Elsevier B.V. All rights reserved. Keywords: ZnO; XANES; Vanadium doping; Thin films; ...

E-print Network

30
XANES investigation of cerium as an inhibitor for Al alloys.
1991-01-01

Cerium ions are under investigation as possible replacements for toxic chromates. The use of cerium ions as corrosion inhibitors for aluminum alloys is investigated using XANES (x-ray absorption near edge structure). On immersion in a dilute solution of c...

National Technical Information Service (NTIS)

31
X-Ray Absorption near Edge Structures of DNA or its Components around the Oxygen K-shell Edge

... Inactivation and mutation of cultured mammalian cells by aluminium characteristic ultrasoft X-rays. I. Properties of aluminium X-rays. Int. J. Radiat. Biol 31:541� ... ...

NBII National Biological Information Infrastructure

32
Tungsten Speciation in Firing Range Soils
2011-01-01

... Nevertheless, iron K-edge XANES is highly effective at identify- ing and quantifying ... 4.1.2.1 X-Ray Absorption near Edge Structure Spectroscopy ...

DTIC Science & Technology

33
The Material Properties of CsSnBr3 and CsBr:Sn-1% and ...
2010-03-01

... The K- edge electron is shown as the ejected electron here. ... The X-Ray Near Edge Absorption Structure (XANES), is the first peak-like struc- ...

DTIC Science & Technology

34
Investigation of Anti-Relaxation Coatings for Alkali-Metal ...
2011-02-01

... Near edge X-ray absorption fine structure (NEXAFS) spectroscopy ... The X-ray beam was elliptically polarized ... which in- cludes the carbon K edge. ...

DTIC Science & Technology

35
Identification of Resonant, Two-Electron, and Inter-Atomic ...
1994-09-01

... Page 4. 1 1. Introduction Recent near edge X-ray absorption fine structure ... in the experimental K-edge NEXAFS of solid Ne that ...

DTIC Science & Technology

36
Confinement of block copolymers
1995-12-31

The following were studied: confinement of block copolymers, free surface confinement, effects of substrate interactions, random copolymers at homopolymer interfaces, phase separation in thin film polymer mixtures, buffing of polymer surfaces, and near edge x-ray absorption fine structure spectroscopy.

Energy Citations Database

37
Characterization of Protein Immobilization at Silver Surfaces by Near Edge X-ray Absorption Fine Structure Spectroscopy

. Nucleic Acids Res. 23:3627�32 7. Peterlinz KA, Georgiadis RM, Herne TM, Tarlov MJ. 1997. J. Am. Chem. Soc

E-print Network

38
Canadian Journal of Chemistry, 85, 738-746. ,

-ray absorption near edge structure (�XANES) spectroscopy. Zinc is predominantly incorporated in calcite, and cadmium in calcite and vaterite. Aragonite, which occurs occasionally, does not seem to contain trace metals. In addition to being precipitated in its three possible polymorphic forms, calcite, aragonite

E-print Network

39
Biomimetic Dye Molecules for Solar Cells
2011-09-24

more competitive for widespread implementation was obtained using near-edge x-ray absorption fine structure (NEXAFS) spectroscopy performed at ALS Beamline 8.0.1. The relevant...

Science.gov Websites

40
Near-edge X-ray absorption fine structure measurements using a laser plasma XUV source
2009-09-01

We present a compact setup for near-edge x-ray absorption spectroscopy at the carbon K-edge based on a laser-driven plasma source. Thin polymer films were investigated, showing good agreement with corresponding synchrotron data. Furthermore we have examined the carbon near-edge structure of phospholipids and fulvic acids, providing ...

NASA Astrophysics Data System (ADS)

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41
Monitoring surface compound formation with chemical-shift near-edge x-ray absorption fine structure
2004-11-01

Chemical-shift near-edge x-ray absorption fine structure (NEXAFS) has been used to follow the substrate-induced oxidation of phosphorus on Fe3 O4 (111) . The NEXAFS spectra from two coexisting species were deconvoluted into their component spectra by curve fitting the chemically shifted P K L2,3 L2,3 Auger features. An FeP-like ...

NASA Astrophysics Data System (ADS)

42
Local environment analysis of dopants in ceramics by x-ray absorption near-edge structure with the aid of first-principles calculations
2009-03-01

Three types of functional ceramic materials, (1) dilute magnetic semiconductor, (2) phosphor and (3) electrolyte of a solid fuel cell, are fabricated by the conventional solid state reaction method. Local environments of dopants in these ceramic materials here synthesized are systematically investigated by using the x-ray absorption near-edge ...

NASA Astrophysics Data System (ADS)

43
Calculating X-ray absorption near-edge structure at very low energy.
2002-12-24

The measurement and calculation of X-ray absorption near-edge structure at very low energy can provide important information about a metallic center in biological compounds. A rapid overview of the biological applications of this technique is given, then a new method of calculating the spectra is presented. This technique, based on the ...

PubMed

44
X-ray Absorption Study of Intermediate Valence in Sm(1-x)Sc(x)S Alloys.
1985-01-01

X-ray absorption measurements (X-ray Absorption Near Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS)) above all the three L edges of Sm are employed to study the mixed valence in Sm1-xScxS alloys (x

National Technical Information Service (NTIS)

45
First-principles calculations of x-ray absorption near edge structure and energy loss near edge structure: present and future.
2009-02-10

Computational methods for theoretical x-ray absorption near edge structure (XANES) and energy loss near edge structure (ELNES) are classified into a few groups. Depending on the absorption (or excitation) edge, required accuracy and ...

PubMed

46
Iodine L-Edge X-Ray Absorption Fine Structure Studies of Polymer-Iodide Salt Complexes.
1987-01-01

We report measurements of extended x-ray absorption fine structure (EXAFS) and x-ray absorption near edge structure (XANES) of the L edge of iodine in the polymer electrolytes PPO8NaI, PPO8LiL, and PEI10NaI. The EXAFS indicates a disordered environment fo...

National Technical Information Service (NTIS)

47
An attempt to analyze the bark disease in Havea brasiliensis using X-ray absorption near-edge spectroscopy.
2009-07-15

The X-ray absorption near-edge spectroscopy (XANES) technique has been used to determine the chemical change of elements induced by bark diseases in Havea brasiliensis (rubber latex tree). The results show the good sensitivity of in situ XANES for characterizing the chemical structure of phosphorus, sulfur, potassium and calcium in ...

PubMed

48
X-Ray Spectroscopy of Solids under Pressure. Annual Technical Progress Report, August 1984-July 1985.
1985-01-01

A program to investigate the x-ray absorption behavior of materials subjected to high pressures has been continued. Of particular interest has been the EXAFS (extended x-ray absorption fine structure) and XANES (x-ray absorption near edge structure). ...

National Technical Information Service (NTIS)

49
X-Ray Absorption Spectra Theory in Variable Valency Compounds.
1986-01-01

A qualitative theory of X-ray L sub 3 , M sub 4 , M sub 5 absorption spectra in anomalous rare-earth compounds with variable valency is constructed, which explains a doublet X-ray absorption near edge structure (XANES). The model of electron structure sug...

National Technical Information Service (NTIS)

50
Ligand binding processes in hemoglobin. Chemical reactivity of iron studied by XANES spectroscopy.
1985-12-01

K-absorption edge of coordinated ions exhibits a fine structure (through the use of XANES, or x-ray absorption near edge structures) that reflects the electronic repartition and the chemical reactivity of these ions. Comparative analysis of iron ...

PubMed Central

51
Extended X-ray Absorption Fine Structure and X-ray Absorption Near Edge Structure (EXAFS and XANES) of Superoxide Dismutase: A Copper Protein.
1986-01-01

EXAFS and XANES have provided unique and specific structural information for a number of copper proteins. The authors report here the EXAFS and XANES work on superoxide dismutase in some detail to highlight some of the structural information which EXAFS a...

National Technical Information Service (NTIS)

52
Extended X-ray Absorption Fine Structure and X-ray Absorption Near Edge Structure (EXAFS and XANES) Studies of Copper Proteins.
1986-01-01

A number of copper proteins have been investigated using the EXAFS and XANES techniques. Some of the work is reviewed here to demonstrate the contribution of these techniques in specific structure determination. The author also reports here some of the re...

National Technical Information Service (NTIS)

53
A XANES and EXAFS investigation of the speciation of selenite following bacterial metabolization
1995-03-15

This paper reports the X-ray absorption near edge structure (XANES) spectroscopic characterization of the oxidation state of selenium following microbial metabolism of selenite from aqueous solution. Extended X-ray absorption fine structure (EXAFS) measurements of the ...

Energy Citations Database

54
Near edge x-ray absorption fine structure spectroscopy with x-ray free-electron lasers
2009-09-01

We demonstrate the feasibility of near edge x-ray absorption fine structure spectroscopy on solids by means of femtosecond soft x-ray pulses from a free-electron laser (FEL). Our experiments, carried out at the FEL at Hamburg used a special sample geometry, spectrographic energy dispersion, single shot ...

NASA Astrophysics Data System (ADS)

55
Numerical simulation of experimental resonance absorption spectra and diffraction of synchrotron radiation in yttrium iron garnet
2006-03-15

Extended X-ray absorption fine-structure spectra of yttrium-iron garnet, measured near the absorption edges of iron and yttrium at the Kurchatov synchrotron radiation source are reported. Numerical simulation of the X-ray absorption near-edge structure of these spectra is ...

Energy Citations Database

56
X-ray absorption near-edge fine structure study of AlInN semiconductors
2005-03-01

We have carried out the x-ray absorption near-edge fine structure (XANES) measurements of AlInN at Al K edge and the self-consistent-field real-space multiple-scattering theory calculations. It was demonstrated that the Al K-edge XANES spectra of AlInN are the fingerprints of their composition. The theoretical results could give a ...

NASA Astrophysics Data System (ADS)

57
Study of hard disk and slider surfaces using X-ray photoemission electron microscopy and near-edge X-ray absorption fine structure spectroscopy.
1998-01-01

X-ray Photo Emission Electron Microscopy (X-PEEM) and Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy were applied to study the properties of amorphous hard carbon overcoats on disks and sliders, and the properties of the lubricant. The mo...

National Technical Information Service (NTIS)

58
Size, shape, and crystallinity of luminescent structures in oxidized Si nanoclusters and H-passivated porous Si.
1994-01-01

Near-edge and extended x-ray absorption fine structure measurements from a wide variety of H-passivated porous Si samples and oxidized Si nanocrystals, combined with electron microscopy, ir-absorption, (alpha)-recoil, and luminescence emission data, provi...

National Technical Information Service (NTIS)

59
Selectivity, Activity and Metal-Support Interactions of Group VIII Bimetallic Catalysts: Final Technical Progress Report, 15 January 1985-15 July 1987.
1986-01-01

The nature of metal-oxide interaction as exemplified by Rh/TiO sub 2 and characterized by entended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) analyses is reviewed. The catalytic consequences of this interactio...

National Technical Information Service (NTIS)

60
Sulphur XANES Analysis of Cultured Human Prostate Cancer Cells
2008-08-01

Prostate cancer is one of the most commonly diagnosed cancers in men throughout the world. It is believed that changes to the structure of protein binding sites, altering its metabolism, may play an important role in carcinogenesis. Sulphur, often present in binding sites, can influence such changes through its chemical speciation. Hence there is a need for precise ...

NASA Astrophysics Data System (ADS)

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61
X-ray Absorption Spectroscopy
2009-07-09

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 ...

DOE Information Bridge

62
Reduced chromium in olivine grains from lunar basalt 15555: X-ray absorption near edge structure (XANES)
1993-01-01

The oxidation state of Cr in 200 [mu]m regions within individual lunar olivine and pyroxene grains from lunar basalt 15555 was inferred using X-ray Absorption Near Edge Structure (XANES). Reference materials had previously been studied by optical absorption spectroscopy and included Cr-bearing ...

Energy Citations Database

63
Orientational behavior of thin films of poly(3-methylthiophene) on platinium: A FTIR and near edge x-ray absorption fine structure (NEXAFS) study
1988-01-01

Near edge x-ray absorption fine structure (NEXAFS) and infrared reflection-absorption spectroscopy (IRRAS) have been used to study the orientational behavior of thin films of poly(3-methylthiophene) electrochemically polymerized on a platinum surface. Clear orientational effects, with the ...

Energy Citations Database

64
Reduced chromium in olivine grains from lunar basalt 15555 - X-ray Absorption Near Edge Structure (XANES)
1993-01-01

The oxidation state of Cr in 200-micron regions within individual lunar olivine and pyroxene grains from lunar basalt 15555 was inferred using X-ray Absorption Near Edge Structure (XANES). Reference materials had previously been studied by optical absorption spectroscopy and included Cr-bearing ...

NASA Astrophysics Data System (ADS)

65
X-ray absorption near edge structure (XANES) determination of calcium sites of troponin C and parvalbumin.
1983-03-25

Using synchrotron radiation at the Frascati storage ring ADONE, the X-ray Absorption Near Edge Structure (XANES) has been applied to determine homologies and modifications of the local structure of the calcium binding sites of troponin C. In all four calcium binding sites, Ca2+ appears to be ...

PubMed

66
Near-edge x-ray absorption fine-structure fingerprints of bulk-amorphous and nanostructured Pd-based alloys
2005-08-15

Bulk amorphous PdCuNiP alloys have been prepared from the liquid state by means of solidification under an argon atmosphere. The addition of a small amount of Fe ({approx}5 at. %) results in the formation of nanocrystalline inclusions inside the residual amorphous matrix. Element-specific near-edge x-ray absorption fine-structure ...

Energy Citations Database

67
Electron hopping interactions in amorphous ZnO films probed by x-ray absorption near edge structure analysis
2011-05-01

The x-ray absorption near edge structures of amorphous ZnO (a-ZnO) films were examined. The near-edge structure, which reflects the virtual electron hopping interactions in the photoabsorption final states, increased in intensity compared to crystalline ZnO. Theoretical path-by-path analyses ...

NASA Astrophysics Data System (ADS)

68
Raman and X-ray absorption near-edge structure characterization of GaN implanted with O, Ar, Xe, Te and Au
2007-08-01

GaN samples implanted with O, Ar, Te, Xe and Au ions, at fluences high enough to cause the formation of an amorphous surface or buried layer, are studied using Raman, X-ray absorption near-edge structure (XANES) and Rutherford backscattering (RBS) spectroscopies. The amorphous character of the as-implanted layers is verified by RBS and ...

NASA Astrophysics Data System (ADS)

69
Pyrimidine and halogenated pyrimidines near edge x-ray absorption fine structure spectra at C and N K-edges: experiment and theory
2010-07-01

The inner shell excitation of pyrimidine and some halogenated pyrimidines near the C and N K-edges has been investigated experimentally by near edge x-ray absorption fine structure spectroscopy and theoretically by density functional theory calculations. The selected targets, 5-Br-pyrimidine, 2-Br-pyrimidine, ...

NASA Astrophysics Data System (ADS)

70
Near-edge x-ray absorption fine structure examination of chemical bonding in sputter deposited boron and boron-nitride films
1996-05-01

Near-edge x-ray absorption fine structure (NEXAFS) is used to examine the chemical bonding in boron and boron-nitride films sputter deposited from a fully-dense, pure boron target. Reactive sputtering is used to prepare the boron-nitride and multilayered films. Although the process of sputter deposition often produces films that lack ...

DOE Information Bridge

71
Graphitic interlayer states: A carbon K near-edge x-ray-absorption fine-structure study
1991-07-15

We have measured the carbon {ital K} near-edge x-ray-absorption fine structure of graphite by transmission, electron yield, and fluorescence yield. A rounded and prominent peak is identified in the near-edge spectrum, among the other well-known spectral features. With the aid of a full-potential linearized augmented-plane-wave band ...

Energy Citations Database

72
Characterization of As-doped, p-type ZnO by x-ray absorption near-edge structure spectroscopy
2006-03-01

The x-ray absorption near-edge structure (XANES) spectroscopy has been used as a ``fingerprint'' to address the unresolved issues related to the changes in the local structure around As and to identify its chemical state in the As-doped, p-type ZnO. The spectral features of both As K- and O K-edge XANES spectra ...

NASA Astrophysics Data System (ADS)

73
A theoretical study of the oxygen K absorption edge in cluster models of sodalite.
1993-01-01

The X-ray absorption near-edge spectrum (XANES) has been calculated for the oxygen K-edge in cluster models of pure silica sodalite and a related sodalite containing Al. Results are reported which describe the dependence of the calculated near-edge spectrum on cluster size as well as the presence of Al and the charge-balancing Na ...

Energy Citations Database

74
Spatially resolved sulfur K-edge XANES spectroscopy of wheat leaves infected by Puccinia triticina
2009-11-01

In this study, wheat leaves infected with brown rust, a plant disease of serious economic concern caused by the fungus Puccinia triticina, were investigated using spatially resolved XANES (X-ray Absorption Near Edge Structure) spectroscopy at the sulfur K-absorption edge.

NASA Astrophysics Data System (ADS)

75
RAPID COMMUNICATION Near-Edge X-Ray Absorption Fine Structure (NEXAFS) Microscopy of a

for mic- rotoming. SAN-g-PB samples were sectioned under cryogenic conditions. PC, SAN, PC/SAN, and PAN-shell absorption edge, the dark spots observed in the image [Fig. 4(a)] are titanium dioxide particles and clusters transparent to X rays, and no contrast between the polymeric phases is observed. The titanium dioxide

E-print Network

76
Quantum confinement observed in the x-ray absorption spectrum of size distributed meteoritic nanodiamonds
2008-09-01

We present a near edge x-ray absorption fine structure study of artificial chemical vapor deposition diamonds with sizes in the micron range and of size distributed nanodiamonds extracted from the Murchison meteorite. The modified peak shape in the case of the nanodiamond sample is explained by the interplay ...

NASA Astrophysics Data System (ADS)

77
Near-Edge X-ray Absorption Fine Structure Spectroscopy on Ordered Films of an Amphiphilic Derivate of

(p-phenylene terephthalamide) (Kevlar), poly(ethylene terephthalate), poly(p-phenylene-1,3,4-oxadiazole), and 2,5-di. Samples of poly(p-phenylene terephthalamide) (Kevlar), poly- (ethylene terephthalate) (PET), poly-ray absorption spectra of AF51, Kevlar, PET, and PPOD for fingerprinting. The interpretation of the spectral

E-print Network

78
Electron transfer at the mineral/water interface: Selenium reduction by ferrous iron sorbed on clay

of the DCM was calibrated relative hal-00261713,version1-8Mar2008 #12;15 to the Au K-edge of metallic gold-ray absorption near-edge spectroscopy) and EXAFS (extended x-ray absorption fine- structure) spectroscopy. Iterative transformation factor analysis of XANES and EXAFS spectra suggested that only one Se ...

E-print Network

79
Characterization of local chemistry and disorder in synthetic and natural (alpha)-Al(sub 2)O(sub 3) materials by X-ray absorption near edge structure spectroscopy.
1997-01-01

X-ray absorption fine spectra at the Al K-edge were measured experimentally on and calculated theoretically via the multiple-scattering formalism for a chemically pure and physically perfect synthetic (alpha)-Al(sub 2)O(sub 3) ((alpha)-alumina), a natural...

National Technical Information Service (NTIS)

80
Poly(Ethylene Oxide) Complexed with KI: An X-ray Absorption Study.
1989-01-01

Polymer-salt complexes of poly(ethylene oxide) (PEO) and KI have been studied with the technique of Near Edge X-ray Absorption Fine Structure of the K-edge of potassium. The changes observed in the spectra as a function of temperature are compared with mo...

National Technical Information Service (NTIS)

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81
Calculation of X-ray absorption near edge structure of CeO2 using a model cluster
2007-11-01

We report result of a first-principle molecular orbital calculation using discrete-variational (DV)-X? method on a model of CeO2 ([CeO8]12?), and compare them with experimental date on X-ray absorption-near-edge structure. Even using a small cluster model, we can reproduce the two-peak structure near ...

NASA Astrophysics Data System (ADS)

82
Electronic structure of the organic semiconductor copper phthalocyanine: experiment and theory.
2008-01-21

The electronic structure of the organic semiconductor copper-phthalocyanine (CuPc) has been determined by a combination of conventional and resonant photoemission, near-edge x-ray absorption, as well as by the first-principles calculations. The experimentally obtained electronic valence band structure of CuPc is in ...

PubMed

83
X-ray microprobe analysis of iron oxidation states in silicates and oxides using X-ray absorption near edge structure (XANES)
1994-12-01

Initial results are reported on a new microprobe technique for determining Fe{sup 3+}/{Sigma}Fe ratios in Fe-bearing minerals. The technique is based on the energy shift of a pre-edge peak in X-ray absorption near-edge structure (XANES) spectra obtained using the synchrotron X-ray fluorescence microprobe. A linear relationship between ...

Energy Citations Database

84
X-ray absorption near-edge structure evidence for direct metal-metal bonding and electron transfer in reduced Rh/TiO/sub 2/ catalysts
1988-01-14

A comparison of the X-ray absorption near-edge structure (XANES) of Rh metal and the intermetallic compounds RhTi and Rh/sub 3/Ti and the XANES of several Rh/TiO/sub 2/ catalysts suggests that the same kind of Rh-Ti bonding that occurs in the intermetallic compounds also develops in the catalysts after they have been reduced at ...

Energy Citations Database

85
Three-dimensional mapping of nickel oxidation states using full field x-ray absorption near edge structure nanotomography
2011-04-01

The reduction-oxidation cycling of the nickel-based oxides in composite solid oxide fuel cells and battery electrodes is directly related to cell performance. A greater understanding of nickel redox mechanisms at the microstructural level can be achieved in part using transmission x-ray microscopy (TXM) to explore material oxidation states. X-ray nanotomography combined with x-ray ...

NASA Astrophysics Data System (ADS)

86
Thioethanol on Cu(111) at room temperature: A near edge x-ray absorption fine structure and x-ray photoelectron spectroscopy study
2004-05-01

Orientation and charge transfer upon adsorption of thioethanol on copper surface at room temperature has been studied by near edge x-ray absorption fine structure (NEXAFS) and x-ray photoelectron spectroscopy (XPS) techniques. It is found that thioethanol adsorbs dissociatively on the Cu(111) surface. Polarization ...

NASA Astrophysics Data System (ADS)

87
Structural analysis of sulfur in natural rubber using X-ray absorption near-edge spectroscopy.
2008-07-11

X-ray absorption near-edge spectroscopy (XANES) has been applied to natural rubber in order to study the local environment of sulfur atoms in sulfur crosslinking structures introduced in the vulcanization process. Different types of chemical accelerators in conventional, semi-efficient and efficient vulcanization systems were ...

PubMed

88
Oxygen barometry of basaltic glasses based on vanadium valence determinations using synchrotron microXANES
2004-10-27

We describe here a new, non-destructive method for valence determinations of vanadium and oxygen fugacity estimates for basaltic glasses with spatial resolution of a few micrometers using synchrotron x-ray absorption near edge structure (XANES) spectroscopy. A promising proxy for oxygen fugacity is the valence of ...

Energy Citations Database

89
Monitoring surface compound formation with chemical-shift near-edge x-ray absorption fine structure
2004-11-15

Chemical-shift near-edge x-ray absorption fine structure (NEXAFS) has been used to follow the substrate-induced oxidation of phosphorus on Fe{sub 3}O{sub 4}(111). The NEXAFS spectra from two coexisting species were deconvoluted into their component spectra by curve fitting the chemically shifted P KL{sub 2,3}L{sub 2,3} Auger features. ...

Energy Citations Database

90
Determination of the oxidation state of radiogenic Pb in natural zircon using X-ray absorption near-edge structure
2010-04-01

We examined the LIII-edge Pb X-ray absorption near-edge structure (XANES) of three natural zircon samples with different amounts of radiation doses (1.9 � 1015 to 6.8 � 1015 ?-decay events/mg). The results suggest that the oxidation state of radiogenic Pb in the zircon sample with the highest radiation dose is divalent. The XANES ...

NASA Astrophysics Data System (ADS)

91
Communication: Near edge x-ray absorption fine structure spectroscopy of aqueous adenosine triphosphate at the carbon and nitrogen K-edges
2010-09-01

Near edge x-ray absorption fine structure (NEXAFS) spectroscopy at the nitrogen and carbon K-edges was used to study the hydration of adenosine triphosphate in liquid microjets. The total electron yield spectra were recorded as a function of concentration, pH, and the presence of sodium, magnesium, and copper ions ...

NASA Astrophysics Data System (ADS)

92
Ca 3d Unoccupied States in Bi2Sr2CaCu2O8 Investigated by Ca L2,3 X-ray-Absorption Near-Edge Structure.
1992-01-01

The high-resolution Ca L(2,3) x-ray-absorption near-edge-structure (XANES) specrum of a Bi2Sr2CaCu2O8 single crystal has been measured by use of a magnetic-projection x-ray microscope probing a surface area of 200x200 micrometers square. The Ca L(2,3) XAN...

National Technical Information Service (NTIS)

93
C 1s Near Edge X-ray Absorption Fine Structure (NEXAFS) of substituted benzoic acids: a theoretical and experimental study
2007-01-01

Ab initio calculations are performed to explain the discrete transitions in experimental C 1s-NEXAFS (near edge X-ray absorption fine structure) spectra of various benzoic acid derivates. Transition energies and oscillator strengths of the contributing C 1s-{pi}* excitations are computed using the ADC(2) ...

Energy Citations Database

94
Probing solid catalysts under operating conditions
1994-09-16

This article describes the use of synchrotron radiation to study chemical and structural changes of catalysts during actual operating conditions. Described are techniques using x-ray absorption near edge structure, extended x-ray absorption fine ...

Energy Citations Database

95
Investigation of the mica x-ray absorption near-edge structure spectral features at the Al K-edge
2003-10-01

Near-edge features of Al x-ray absorption near-edge structure (XANES) spectra in aluminosilicate compounds with mixed coordination number are usually assigned to a fourfold coordinated site contribution followed by a sixfold coordinated site contribution that is displaced towards higher energy because of the ...

NASA Astrophysics Data System (ADS)

96
Overlap population diagram for ELNES and XANES: peak assignment and interpretation
2009-03-01

This article reviews overlap population (OP) diagrams for electron energy loss near-edge structure (ELNES) and x-ray absorption near-edge structure (XANES). By using the OP diagrams, peaks in ELNES and XANES of MgO, ZnO, AlN, GaN, InN, and YBa2Cu3O7?x are interpreted in terms of cation-anion ...

NASA Astrophysics Data System (ADS)

97
Characterization of Pt particle interaction with L-zeolite by x-ray absorption spectroscopy: Binding energy shifts, x-ray absorption near-edge structure, and extended x-ray absorption fine structure
1990-11-29

The authors have used x-ray absorption to measure the binding energy, x-ray absorption near-edge structure (XANES), and extended x-ray absorption fine structure (EXAFS) of Pt particles in L-zeolite saturated with H{sub 2} at room temperature and after desorption of H{sub 2} ...

Energy Citations Database

98
Quantitative Interpretation of X-ray Absorption Near Edge Structure. Continuation Progress Report for the 1st year 9/15/98-9/14/99.
1999-01-01

This work is carried out in collaboration with Dr. Simon Bare of the UOP LLC Research Center. The tools and extensions proposed include the generalization of FEFF for configurational averages, and tools for analyzing XANES including electronic structure s...

National Technical Information Service (NTIS)

99
Near-Edge X-Ray Absorption Fine-Structure Investigation of Graphene D. Pacile�,1,* M. Papagno,1

by optical microscopy (OM) and Raman spectroscopy, to identify single layers of graphite and thicker flakes-structure (NEXAFS) spectrum of a single layer of graphite (graphene) obtained by micromechanical cleavage of highly ordered pyrolytic graphite on a SiO2 substrate. We utilized a photoemission electron microscope

E-print Network

100
Characterization of Functionalized Self-Assembled Monolayers and Surface-Attached Interlocking Molecules Using Near-Edge X-ray Absorption Fine Structure Spectroscopy.
2004-01-01

Quantitative knowledge of the fundamental structure and substrate binding, as well as the direct measurement of conformational changes, are essential to the development of self-assembled monolayers (SAMs) and surface-attached interlocking molecules, caten...

National Technical Information Service (NTIS)

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101
X-ray absorption near-edge spectra of overdoped La2-xSrxCuO4 high-Tc superconductors
2011-03-01

We present results for realistic modeling of the x-ray absorption near edge structure (XANES) of the overdoped high-Tc superconductor La2-xSrxCuO4 in the hole doping range x=0.20 ? 0.30. Our computations are based on a real-space Green�s function approach in which strong-correlation effects are taken into account ...

NASA Astrophysics Data System (ADS)

102
Near-edge x-ray absorption spectroscopy of RT/sub 2/Si/sub 2/ and RT/sub 2/Ge/sub 2/ compounds
1988-04-15

X-ray absorption near-edge spectroscopy (XANES) measurements on 1:2:2 compounds of the form RT/sub 2/X/sub 2/ with R = Ce and Eu, T = a transition metal, and X = Si or Ge are presented. XANES measurements on each of the three sublattices are used to elucidate elements of the electronic structure of these compounds. In particular, the ...

Energy Citations Database

103
Extended spin-polarized x-ray absorption near-edge spectra of MnO
2004-10-01

We present Mn K{beta}(3p{yields}1s) emission data as a contour map over wide energy ranges in both excitation and emission. It is demonstrated that spin-polarized x-ray absorption near edge structure (SPXANES) can be deduced by analyzing the data in terms of a formula derived from the Kramers-Heisenberg equation. ...

Energy Citations Database

104
XAS Studies of Arsenic in the Environment
2007-02-02

Arsenic is present in low concentrations in much of the Earth's crust and changes in its speciation are vital to understanding its transport and toxicity in the environment. We have used X-ray absorption spectroscopy to investigate the coordination sites of arsenic in a wide variety of samples, including soil and earthworm tissues from arsenic-contaminated land, and ...

Energy Citations Database

105
XAS Studies of Arsenic in the Environment
2007-02-01

Arsenic is present in low concentrations in much of the Earth's crust and changes in its speciation are vital to understanding its transport and toxicity in the environment. We have used X-ray absorption spectroscopy to investigate the coordination sites of arsenic in a wide variety of samples, including soil and earthworm tissues from arsenic-contaminated land, and human hair ...

NASA Astrophysics Data System (ADS)

106
Near edge x-ray spectroscopy theory. Annual progress report, 1993--1994
1994-03-01

We propose to develop a quantitative theory of x-ray spectroscopies in the near edge region, within about 100 eV of threshold. These spectroscopies include XAFS (X-ray absorption fine structure), photoelectron diffraction (PD), and diffraction anomalous fine structure (DAFS), all of which are ...

DOE Information Bridge

107
Local structure of indium oxynitride from x-ray absorption spectroscopy
2008-08-04

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 ...

Energy Citations Database

108
Near-edge study of gold-substituted YBa2Cu3O(7-delta)
1991-01-01

The valence of Cu and Au in YBa2Au0.3Cu2.7O7-delta was investigated using X-ray absorption near edge

NASA Technical Reports Server (NTRS)

109
Near-edge study of gold-substituted YBa2Cu3O(7-delta)
1991-01-01

The valence of Cu and Au in YBa2Au0.3Cu2.7O7-delta was investigated using x-ray absorption near edge

NASA Technical Reports Server (NTRS)

110
Electronic structure of nanoporous ceria from x-ray absorption spectroscopy and atomic multiplet calculations
2007-12-01

We study the electronic structure of three-dimensional nanoporous CeO2?x monoliths (aerogels) by soft x-ray absorption near-edge structure (XANES) spectroscopy. Atomic multiplet calculations are used to interpret high-resolution CeM4,5 - and N4,5 -edge XANES spectra. Results show that aerogels with thicker ...

NASA Astrophysics Data System (ADS)

111
[Polymers]. Summary of 1994--5 activities
1995-12-31

The research activities are summarized here for the following subjects: (1) confinement of block copolymers; (2) free surface confinement; (3) effects of substrate interactions; (4) random copolymers at homopolymer interfaces; (5) phase separation in thin films polymer mixtures; (6) buffing of polymer surfaces; and (6) near edge x-ray ...

DOE Information Bridge

112
Xanes investigation of pH effects during cerium-sealing of anodized aluminum.
1990-01-01

Cerium ions are under investigation as possible replacements for toxic chromates. The use of cerium ions in sealing anodized films on aluminium and the effect of pH cerium chemistry has been investigated using XANES (X-ray Absorption Near Edge Structure)....

National Technical Information Service (NTIS)

113
XANES spectra of metal phytate compounds

Metal speciation of phosphate and metal-phosphate interactions can be investigated by molecular-scale X-ray absorption near edge structure (XANES) spectroscopic analysis. Much of the effort, however, has been focused on inorganic P speciation (i. e. metal-orthophosphate interactions). Phytate (inosi...

Technology Transfer Automated Retrieval System (TEKTRAN)

114
XANES of Chromium in Sludges Used as Soil Ameliorants
2010-12-01

Samples of sewage sludges proposed for use as soil ameliorants in an Indo-Canadian project were tested for chromium content. Standard aqua regia extractions found one sludge to have excessive amounts of Cr. X-ray absorption near-edge structure (XANES) spectroscopy, however, indicated that the Cr was present in the relatively benign ...

Energy Citations Database

115
X-Ray L beta sub 2 sub 15 Emission Spectrum of Ru in Ru(NH Sub 3 ) sub 6 Cl sub 3.
1984-01-01

One of the broader applications of synchrotron radiation has been to EXAFS studies for material structure determination, i.e., for an analysis of x-ray absorption over an extended energy region beyond a core ionization limit. Studies of the near edge stru...

National Technical Information Service (NTIS)

116
Understanding electronegative effects in core-level electron spectroscopies; application to the high temperature superconductors
1989-12-01

The nature of the core level reflected in x ray photoelectron spectroscopy, Auger electron spectrosocopy, and x ray absorption near edge structure is considered. An understanding of the effects of anion and cation electronegativity on spectra for the transition metal halides is obtained. This knowledge is applied ...

NASA Astrophysics Data System (ADS)

117
Quantitative orientational analysis of a polymeric material (Kevlar� fibers)

Quantitative orientational analysis of a polymeric material (Kevlar� fibers) with x of Kevlar� fibers. � 1996 American Institute of Physics. S0003-6951 96 02951-8 Near edge x-ray absorption grades of poly p-phenylene terephthalamide Kevlar� fibers for chemical structure see inset of Fig. 1

E-print Network

118
QUANTIFYING HAZARDOUS SPECIES IN PARTICULATE MATTER DERIVED FROM FOSSIL-FUEL COMBUSTION

An analysis protocol that combines X-ray absorption near-edge structure spectroscopy with selective leaching has been developed to examine hazardous species in size- segregated particulate matter (PM) samples derived from the combustion of fossil fuels. The protocol has been used...

EPA Science Inventory

119
Oxygen Barometry of Basaltic Glasses Based on Vanadium Valence Determination Using Synchrotron MicroXANES
2004-03-01

We describe here a new, non-destructive method for valence determinations of vanadium and oxygen fugacity estimates for basaltic glasses with spatial resolution of a few micrometers using synchrotron x-ray absorption near edge structure (XANES) spectroscopy.

NASA Astrophysics Data System (ADS)

120
Micro-XANES Measurements on Experimental Spinels and the Oxidation State of Vanadium in Coexisting Spinel and Silicate Melt.
2005-01-01

Electron microprobe analyses were made using a Cameca SX100 at the NASA Johnson Space Center. Measurements of the valence of V were made using synchrotron micro-XANES (X-ray Absorption Near-Edge Structure) spectroscopy (SmX), at the Advanced Photon Source...

National Technical Information Service (NTIS)

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121
Langmuir-Blodgett Films of Polyheterocycles: A Study with Synchrotron Radiation Techniques.
1989-01-01

Novel electroactive L-B films have been assembled from 3-alkyl pyrroles and poly(3-alkylthiophenes). The films were transferred onto platinum-coated glass slides and their molecular orientation was studied using near-edge X-ray absorption fine structure (...

National Technical Information Service (NTIS)

122
Ionic nature of Ge(II)-centered dications: a germanium K-edge X-ray absorption near edge structures study.
2010-08-25

Measurement of the ionic nature of [Ge(cryptand[2.2.2])](2+) by XANES has provided direct experimental evidence that the germanium center is best described as a nearly-naked dication encased within an electron rich cryptand cage. PMID:20740225

PubMed

123
In situ XANES study of the passive film formed on iron in borate buffer and in sodium acetate.
1996-01-01

The passive film formed on Fe in pH 8.4 borate buffer (0. 1 36 M) over a broad potential range was characterized by in situ XANES (x-ray absorption near edge structure). On stepping the potential to a value between -0.6 V and +0.4 V (MSE), a passive film ...

National Technical Information Service (NTIS)

124
In Situ Analysis of Sulfur Species in Sulfur Globules Produced from Thiosulfate by Thermoanaerobacter sulfurigignens and Thermoanaerobacterium thermosulfurigenes? �
2007-10-20

The Firmicutes Thermoanaerobacter sulfurigignens and Thermoanaerobacterium thermosulfurigenes convert thiosulfate, forming sulfur globules inside and outside cells. X-ray absorption near-edge structure analysis revealed that the sulfur consisted mainly of sulfur chains with organic end groups similar to sulfur formed in purple sulfur ...

PubMed Central

125
Identification of the nitrogen species on N-doped graphene layers and Pt/NG composite catalyst for direct methanol fuel cell.
2010-08-19

Heat treatment of graphene oxide (GO) with ammonia flow at various temperatures resulted in different distribution of nitrogen species. Synchrotron based X-ray absorption near-edge structure (XANES) spectroscopy provides unambiguous evidence for the presence of three nitrogen species. The Pt/NG-800 composite exhibits outstanding ...

PubMed

126
Growth of nanographite on Pt(111) and its edge state
2006-04-01

The nanographite grains, the diameter of which was around 5 nm, were formed on Pt(111) by exposing the Pt(111) substrate to benzene gas at room temperature and annealing it up to 850 K. The increase of relative number of edge atoms enabled the observation of edge-derived electronic states. The measurement of ultraviolet photoelectron spectroscopy and near ...

NASA Astrophysics Data System (ADS)

127
Determination of Arsenic Poisoning and Metabolism in Hair by Synchrotron Radiation: The Case of Phar Lap
2010-08-26

Fresh physical evidence about the demise of the racehorse Phar Lap (see photograph) has been gathered from the study of mane hair samples by synchrotron radiation analysis with high resolution X-ray fluorescence (XRF) and X-ray absorption near edge structure (XANES) analyses. The results are indicative of arsenic ...

Energy Citations Database

128
Cerium moment collapse in ternary silicides CePd[sub 2[minus][ital x
1994-05-01

Cerium [ital L][sub 3] XANES (x-ray-absorption near-edge-structure) spectra were analyzed to separate Ce moment contributions and mixed valence (MV) in complex magnetic silicides CePd[sub 2[minus][ital x

Energy Citations Database

129
Carbon Speciation of Diesel Exhaust and Urban Particulate Matter NIST

such NIST SRM samples, i.e., diesel engine exhaust soot from heavy duty equipment engines (SRM 1650), diesel soot from a forklift engine (SRM 2975), and urban PM collected in St. Louis, MO (SRM 1648), with near- edge X-ray absorption fine structure (NEXAFS) spec- troscopy. The NEXAFS spectra of the two diesel soot

E-print Network

130
Application of soft X-ray microscopy to the in-situ analysis of sporopollenin/sporinite in a rank variable suite of organic rich sediments.
1997-01-01

Soft X-ray imaging and carbon near edge absorption fine structure spectroscopy (C-NEXAFS) has been used for the in-situ analysis of sporinite in a rank variable suite of organic rich sediments extending from recent up to high volatile A bituminous coal. T...

National Technical Information Service (NTIS)

131
Alpha Irradiation Effects in Ca2Nd8(SiO4)6O2.
1989-01-01

The effects of alpha irradiation in the rare-earth silicate, Ca2Nd8(SiO4)6O2, was investigated by x-ray diffraction, x-ray absorption near-edge spectroscopy (XANES), and extended x-ray fine structure (EXAFS) techniques. Irradiation with alpha particles em...

National Technical Information Service (NTIS)

132
Adsorption of Boric Acid on Pure and Humic Acid Coated am-Al(OH)3

to the formation of protonated surface groups, and (2) the change in surface charge due to HA sorption. Boron KAdsorption of Boric Acid on Pure and Humic Acid Coated am-Al(OH)3: A Boron K-Edge XANES Study D A N. Boron (B) K-edge X-ray absorption near-edge structure (XANES) spectroscopy was used to investigate

E-print Network

133
X-ray absorption near edge structure/electron energy loss near edge structure calculation using the supercell orthogonalized linear combination of atomic orbitals method
2009-03-01

Over the last eight years, a large number of x-ray absorption near edge structure (XANES) and/or electron energy loss near edge structure (ELNES) spectroscopic calculations for complex oxides and nitrides have been performed using the supercell-OLCAO ...

NASA Astrophysics Data System (ADS)

134
Ferroelectric Distortation in SrTiO3 Thin Films on Si(100) by X-ray Absorption Fine Structure Spectroscopy: Experiment and First-Principles Calculations
2007-01-01

Ti K and Ti L{sub 2,3} x-ray absorption fine-structure near-edge spectra of SrTiO3 thin films grown coherently on Si(001) reveal the presence of a ferroelectric (FE) distortion at room temperature. This unique phase is a direct consequence of the compressive biaxial strain achieved by coherent epitaxial growth.

Energy Citations Database

135
Cosmochemistry Special Feature: Laboratory technology and cosmochemistry.
2011-04-15

Recent developments in analytical instrumentation have led to revolutionary discoveries in cosmochemistry. Instrumental advances have been made along two lines: (i) increase in spatial resolution and sensitivity of detection, allowing for the study of increasingly smaller samples, and (ii) increase in the precision of isotopic analysis that allows more precise dating, the study of isotopic ...

PubMed

136
Fine structures at the X-ray L absorption edges of antimony in SbSi
1982-06-01

The fine structures at the absorption L edges of antimony in SbSI were observed in the paraelectric and ferroelectric phases. The X-ray absorption near edge structures at the L1 and L3 edges do not show any difference in shape and position due to the phase transition, ...

NASA Astrophysics Data System (ADS)

137
Structure of a precursor state in dissociative chemisorption
1990-01-29

Near-edge-- and surface-extended--x-ray-absorption fine-structure measurements of H{sub 2}S on Cu(001){ital p}(2{times}2)S have been used to make the first direct structural determination of an intermediate molecular precursor in dissociative adsorption. Our results indicate that population of these precursor ...

Energy Citations Database

138
Structural Features that Govern Enzymatic Activity in Carbonic Anhydrase from a Low-Temperature Adapted Fish, Chionodraco hamatus
2007-10-15

The carbonic anhydrase (CA) family of zinc metalloenzymes includes many known isozymes that have different subcellular distributions. The study described here focuses on identification of the structural features that define low-temperature adaptation in a Chionodraco hamatus protein, both for the reaction center, at an atomic level, and for the tertiary ...

PubMed Central

139
Determining Orientational Structure of Diamondoid Thiols Attached to Silver Using Near Edge X-ray Absorption Fine Structure Spectroscopy
2008-10-07

Near-edge x-ray absorption fine structure spectroscopy (NEXAFS) is a powerful tool for determination of molecular orientation in self-assembled monolayers and other surface-attached molecules. A general framework for using NEXAFS to simultaneously determine molecular tilt and twist of rigid molecules attached to surfaces is presented. ...

DOE Information Bridge

140
Double conical crystal x-ray spectrometer for high resolution ultrafast x-ray absorption near-edge spectroscopy of Al K edge.
2010-06-01

An x-ray spectrometer devoted to dynamical studies of transient systems using the x-ray absorption fine spectroscopy technique is presented in this article. Using an ultrafast laser-induced x-ray source, this optical device based on a set of two potassium acid phthalate conical crystals allows the extraction of x-ray absorption ...

PubMed

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141
Double conical crystal x-ray spectrometer for high resolution ultrafast x-ray absorption near-edge spectroscopy of Al K edge
2010-06-01

An x-ray spectrometer devoted to dynamical studies of transient systems using the x-ray absorption fine spectroscopy technique is presented in this article. Using an ultrafast laser-induced x-ray source, this optical device based on a set of two potassium acid phthalate conical crystals allows the extraction of x-ray absorption ...

NASA Astrophysics Data System (ADS)

142
Near Edge X-Ray Absorption Fine Structure Spectroscopy with X-Ray Free-Electron Lasers
2009-12-11

We demonstrate the feasibility of Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy on solids by means of femtosecond soft x-ray pulses from a free-electron laser (FEL). Our experiments, carried out at the Free-Electron Laser at Hamburg (FLASH), used a special sample geometry, spectrographic energy ...

DOE Information Bridge

143
Mapping the chemical states of an element inside a sample using tomographic x-ray absorption spectroscopy.

Hard x-ray absorption spectroscopy is combined with scanning microtomography to reconstruct full near-edge spectra of an elemental species at each location on an arbitrary virtual section through a sample. These spectra reveal the local concentrations of different chemical compounds of the absorbing element inside the sample and give insight into the ...

Energy Citations Database

144
Determination of Cr(VI) in wood specimen: A XANES study at the Cr K edge
2008-05-01

The content of chromium in different oxidation states in chromium-treated wood was studied with XANES (X-ray absorption near-edge structure) measurements at the Cr K absorption edge. It could be shown that wood samples treated with Cr(VI) (pine and beech) did still contain a measurable content of Cr(VI) after four ...

NASA Astrophysics Data System (ADS)

145
Examination of the local structure in composite and lowdimensional semiconductor by X-ray Absorption Spectroscopy
2006-09-25

X-ray absorption methods have been successfully used to obtain quantitative information about local atomic composition of two different materials. X-ray Absorption Near Edge Structure analysis and X-Ray Photoelectron Spectroscopy allowed us to determine seven chemical compounds and their ...

Energy Citations Database

146
Structural studies of Ba1-xLaxTiO3 using X-ray absorption near-edge spectroscopy
2009-11-01

La-doped barium titanate (Ba1-xLaxTiO3) is an important electronic ceramic material used in a wide variety of applications including in multilayer capacitor, transducers, ferroelectric thin film memories, and positive temperature coefficient resistor (PTCR). In this work, we investigated the changes of the local atomic structure around barium and titanium ions of Ba1-xLaxTiO3 ...

NASA Astrophysics Data System (ADS)

147
Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure
1998-09-01

A self-consistent real-space multiple-scattering (RSMS) approach for calculations of x-ray-absorption near-edge structure (XANES) is presented and implemented in an {ital ab initio} code applicable to arbitrary aperiodic or periodic systems. This approach yields a quantitative interpretation of XANES based on simultaneous, ...

Energy Citations Database

148
Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure
1998-09-01

A self-consistent real-space multiple-scattering (RSMS) approach for calculations of x-ray-absorption near-edge structure (XANES) is presented and implemented in an ab initio code applicable to arbitrary aperiodic or periodic systems. This approach yields a quantitative interpretation of XANES based on simultaneous, ...

NASA Astrophysics Data System (ADS)

149
Absorption fine structure from surface excitations
1982-01-01

The technique of SEXAFS (Surface Extended X-ray Absorption Fine Structure) has been developed to the stage where adsorbate-substrate distances can be determined to within 0.02 A, and adsorption sites readily deduced for single crystal surfaces. Several examples of adsorption on semiconductors (Te, I on Si(111), Ge(111) and Pd, Ag on Si(111)) and on metals ...

Energy Citations Database

150
Point defects in hexagonal BN, BC3 and BCxN compounds studied by x-ray absorption near-edge structure
2011-07-01

The generation of point defects in highly oriented pyrolytic boron nitride (HOPBN) after Ar+ ion bombardment in ultrahigh vacuum and subsequent exposure to air was studied by angle-resolved x-ray absorption near edge structure (XANES). The pristine HOPBN showed well-oriented boron nitride (BN) basal planes parallel ...

NASA Astrophysics Data System (ADS)

151
Local electronic structure of ZnS and ZnSe doped by Mn, Fe, Co, and Ni from x-ray-absorption near-edge structure studies
1996-01-01

Systematic studies of x-ray-absorption near-edge structure (XANES) at the K edge of cations and anions in ZnS, ZnSe, and ZnMS and ZnMSe compounds, with M being a transition metal (Mn, Fe, Co, Ni), were performed. Our investigations have shown, in agreement with earlier literature results of multiple-scattering theory, that the ...

NASA Astrophysics Data System (ADS)

152
Electronic structure of octane on Cu(1 1 1) and Ni(1 1 1) studied by near edge X-ray absorption fine structure
2007-09-01

The electronic structure of an octane film grown on Cu(1 1 1) and Ni(1 1 1) was studied using C K-edge near edge X-ray absorption fine structure (NEXAFS). A pre-peak was observed on the bulk edge onset for the 1 ML thick octane films on the metal substrates. The pre-peak originated from metal ...

NASA Astrophysics Data System (ADS)

153
X-ray absorption spectroscopy: EXAFS (Extended X-ray Absorption Fine Structure) and XANES (X-ray Absorption Near Edge Structure)
1990-04-01

The x-ray absorption spectroscopy (XAS) had been an essential tool to gather spectroscopic information about atomic energy level structure in the early decades of this century. It has also played an important role in the discovery and systematization of rare-earth elements. The discovery of synchrotron radiation in 1952, and later the availability of ...

DOE Information Bridge

154
XAS study of LiFePO4 synthesized by solid state reactions and hydrothermal method
2010-07-01

LiFePO4 composite was synthesized by both solid state and hydrothermal methods. The physical properties of the as-prepared lithium iron phosphates were characterized by X-ray diffraction while electrochemical properties were measured with charge/discharge experiments. X-ray absorption spectroscopy (XAS) was performed to investigate the local structure ...

NASA Astrophysics Data System (ADS)

155
Sulfur 1s near-edge x-ray absorption fine structure (NEXAFS) of thiol and thioether compounds.
2011-06-28

The speciation and quantification of sulfur species based on sulfur K-edge x-ray absorption spectroscopy is of wide interest, particularly for biological and petroleum science. These tasks require a firm understanding of the sulfur 1s near-edge x-ray absorption fine structure (NEXAFS) spectra of relevant species. ...

PubMed

156
Sulfur 1s near-edge x-ray absorption fine structure (NEXAFS) of thiol and thioether compounds
2011-06-01

The speciation and quantification of sulfur species based on sulfur K-edge x-ray absorption spectroscopy is of wide interest, particularly for biological and petroleum science. These tasks require a firm understanding of the sulfur 1s near-edge x-ray absorption fine structure (NEXAFS) spectra of relevant species. ...

NASA Astrophysics Data System (ADS)

157
Near edge X-ray absorption fine structure spectroscopy (NEXAFS) of pigment-protein complexes: peridinin-chlorophyll a protein (PCP) of Amphidinium carterae.
2006-08-18

Peridinin-chlorophyll a protein (PCP) is a unique water soluble antenna complex that employs the carotenoid peridinin as the main light-harvesting pigment. In the present study the near edge X-ray absorption fine structure (NEXAFS) spectrum of PCP was recorded at the carbon K-edge. Additionally, the NEXAFS spectra ...

PubMed

158
In Situ X-ray Absorption Near-Edge Structure Spectroscopy of ZnO Nanowire Growth During Chemical Bath Deposition
2010-12-03

Chemical bath deposition (CBD) offers a simple and inexpensive route to deposit semiconductor nanostructures, but lack of fundamental understanding and control of the underlying chemistry has limited its versatility. Here we report the first use of in situ X-ray absorption spectroscopy during CBD, enabling detailed investigation of both reaction mechanisms and kinetics of ZnO ...

Energy Citations Database

159
Multiple-scattering analysis of K-edge x-ray-absorption near-edge spectrum of YBa/sub 2/Cu/sub 3/O/sub 7/
1988-07-01

The copper K-edge x-ray-absorption near-edge structure (XANES) of YBa/sub 2/Cu/sub 3/O/sub 7/ has been analyzed by using the full multiple-scattering approach. Using the atomic coordinates of the orthorhombic oxygen-deficient perovskite structure the absorption spectra of both the Cu(1) and ...

Energy Citations Database

160
Influence of the local atomic structure in the X-ray absorption near edge spectroscopy of neptunium oxo ions.
2009-09-24

Experimental L(III) X-ray absorption near edge structure (XANES) spectra of the distorted octahedral neptunium oxo ions NpO(2)(OH)(4)(2-), NpO(4)(OH)(2)(3-), and NpO(6)(6-) are interpreted using relativistic full multiple scattering calculations of the X-ray absorption process. In this series ...

PubMed

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161
Ab initio x-ray absorption near-edge structure study of Ti K-edge in rutile.
2007-06-07

This work reports a theoretical x-ray absorption near-edge structure (XANES) spectroscopy study at the Ti K-edge in TiO(2) rutile. We present detailed ab initio computations of the Ti K-edge XANES spectrum performed within the multiple-scattering framework. An extensive discussion is presented concerning the size of the cluster needed ...

PubMed

162
Ab initio x-ray absorption near-edge structure study of Ti K-edge in rutile
2007-07-01

This work reports a theoretical x-ray absorption near-edge structure (XANES) spectroscopy study at the Ti K-edge in TiO2 rutile. We present detailed ab initio computations of the Ti K-edge XANES spectrum performed within the multiple-scattering framework. An extensive discussion is presented concerning the size of the cluster needed to ...

NASA Astrophysics Data System (ADS)

163
Sulfur K-edge X-ray absorption spectroscopy of petroleum asphaltenes and model compounds
1989-04-26

The utility of sulfur K-edge X-ray absorption spectroscopy for the determination and quantification of sulfur forms in petroleum asphaltenes has been investigated. Both X-ray absorption near edge structure (XANES) and extended X-ray absorption fine ...

Energy Citations Database

164
KEMP: A program script for automated biological x-ray absorption spectroscopy data reduction
2006-06-15

Automation of x-ray absorption spectroscopic (XAS) data reduction is essential to cope with high-throughput data collection becoming available at an increasing number of synchrotron radiation centers. A flexible script called KEMP has been developed and implemented at the XAS beamline at EMBL Hamburg. It automatically processes fluorescence XAS data. The pipeline includes dead ...

Energy Citations Database

165
X-ray absorption near-edge structures of disordered Mg{sub 1-x}Zn{sub x}O solid solutions
2007-11-15

In order to examine x-ray absorption near-edge structures (XANES) of disordered solid solutions of metal oxides, a combined approach of a first principles supercell method and a cluster expansion method is developed. Zn-L{sub 3} edge XANES are measured on a series of Mg{sub 1-x}Zn{sub x}O with a rocksalt structure ...

Energy Citations Database

166
In-situ monitoring of the structure of a goethite-based catalyst during methane oxidation by X-ray absorption near-edge structure (XANES) spectroscopy assisted by chemometric methods.
2011-06-01

A goethite-based catalyst was evaluated using in-situ X-ray absorption near-edge structure (XANES) spectroscopy during methane oxidation under increasing reaction temperature. Determination of rank by median absolute deviation (DRMAD), evolving factor analysis (EFA), and multivariate curve resolution (MCR) were used to detect the ...

PubMed

167
Growth temperature dependence on local structures of Fe0.05Si0.95 diluted magnetic semiconductors studied by X-ray absorption near-edge structure
2009-11-01

X-ray absorption near-edge structure (XANES) spectroscopy was used to investigate the local structures of Fe0.05Si0.95 diluted magnetic semiconductors (DMSs) thin film deposited by radio-frequency (RF) reactive magnetron co-sputtering device at temperatures of room-temperature (RT), 473K and 573K. Using the ab ...

NASA Astrophysics Data System (ADS)

168
Effect of aluminum on the local structure of silicon in zeolites as studied by Si K edge X-ray absorption near-edge fine structure: spectra simulation with a non-muffin tin atomic background.
2009-04-01

Experimental Si K edge X-ray absorption near-edge fine structure (XANES) of zeolite faujasite, mordenite, and beta are interpreted by means of the FEFF8 code, replacing the theoretical atomic background mu(0) by a background that was extracted from an experimental spectrum. To some extent, this diminished the effect of the inaccuracy ...

PubMed

169
A study of the electronic structure of FeSe1 ? xTex chalcogenides by Fe and Se K-edge x-ray absorption near edge structure measurements
2010-12-01

Fe K-edge and Se K-edge x-ray absorption near edge structure (XANES) measurements are used to study the FeSe1 ? xTex electronic structure of chalcogenides. An intense Fe K-edge pre-edge peak due to Fe 1\\mathrm {s}\\to 3\\rmd (and admixed Se/Te p states) is observed, showing substantial change ...

NASA Astrophysics Data System (ADS)

170
A study of the electronic structure of FeSe(1-x)Te(x) chalcogenides by Fe and Se K-edge x-ray absorption near edge structure measurements.
2010-11-18

Fe K-edge and Se K-edge x-ray absorption near edge structure (XANES) measurements are used to study the FeSe(1 - x)Te(x) electronic structure of chalcogenides. An intense Fe K-edge pre-edge peak due to Fe 1s --> 3d (and admixed Se/Te p states) is observed, showing substantial change with Te ...

PubMed

171
An x-ray absorption near edge structure spectroscopy study of metal coordination in Co(II)-substituted Carcinus maenas hemocyanin.
1993-12-01

High-resolution x-ray absorption near edge structure spectroscopy was used to characterize the metal sites in three different cobalt-substituted derivatives of Carcinus maenas hemocyanin (Hc), including a mononuclear cobalt, a dinuclear cobalt and a copper-cobalt hybrid derivative. Co(II) model complexes with ...

PubMed Central

172
Scanning transmission x-ray microscopy of isolated multiwall carbon nanotubes
2006-08-01

Scanning transmission x-ray microscopy (STXM) has been used to study isolated carbon nanotubes for the first time. STXM and transmission electron microscopy were applied to the same type of nanotubes, providing unique information about their composition, and electronic and structural properties. The carbon 1s near-edge x-ray absorption ...

NASA Astrophysics Data System (ADS)

173
PROCEEDINGS ON SYNCHROTRON RADIATION: Theoretical XANES spectra for C76 isomers
2009-11-01

Two isolated pentagon rule satisfying isomers of C76 are optimized. And 1(D2) isomer is reconfirmed to be the relative more stable one. The X-ray absorption near-edge structure (XANES) spectra are theoretically characterized by the hybrid density functional theory (DFT) method in combination with the full core-hole potentials. Isomer ...

NASA Astrophysics Data System (ADS)

174
Multidimensional transition-state theory calculations for nuclear dynamics of core-excited molecules
2004-09-01

We have extended the transition-state theory to describe the dynamics of core hole excitation. This allows us to interpret the abnormally bland near-edge x-ray absorption fine structure spectrum of the gas phase benzonitrile molecule at the N 1s edge. We have brought to light different paths for the two most intensive resonances, going ...

Energy Citations Database

175
Molecular and electronic structure in NaCl electrolytes of varying concentration: identification of spectral fingerprints.
2006-03-21

Near edge x-ray absorption spectra at the Na K edge in aqueous NaCl electrolytes are presented as a function of concentration. The spectra are modeled by electronic structure calculations. We find and identify the orbital origin of two spectral fingerprints with sensitivity to the Na+-H2O distance and the Na+-Cl- ...

PubMed

176
Mesitylene-Solvated Monolayers by Thermal Hydrosilylation
2011-01-01

In this paper we show near-edge X-ray absorption fine structure (NEXAFS) analysis of monolayers that are formed by thermal hydrosilylation from 1-alkene diluted in mesitylene. The monolayers are not purely aliphatic as originally proposed. Instead the bound molecules have an alkenyl structure that is promoted by ...

NASA Astrophysics Data System (ADS)

177
Chemical Structure of Copper in Incineration Dry Scrubber and Bag Filter Ashes
2007-02-02

Speciation of copper in waste incineration fly ashes (dry scrubber (DS) and bag filter (BF)) has been studied by X-ray absorption near edge structural (XANES) spectroscopy in the present work. Copper species such as metallic Cu, CuO, Cu(OH)2, and a small amount of CuCO3 in the fly ashes could be distinguished by ...

Energy Citations Database

178
Chemical Structure of Copper in Incineration Dry Scrubber and Bag Filter Ashes
2007-02-01

Speciation of copper in waste incineration fly ashes (dry scrubber (DS) and bag filter (BF)) has been studied by X-ray absorption near edge structural (XANES) spectroscopy in the present work. Copper species such as metallic Cu, CuO, Cu(OH)2, and a small amount of CuCO3 in the fly ashes could be distinguished by ...

NASA Astrophysics Data System (ADS)

179
Architecture of Columnar Nacre, and Implications for Its Formation Mechanism
2007-06-29

We analyze the structure of Haliotis rufescens nacre, or mother-of-pearl, using synchrotron spectromicroscopy and x-ray absorption near-edge structure spectroscopy. We observe imaging contrast between adjacent individual nacre tablets, arising because different tablets have different crystal orientations with ...

Energy Citations Database

180
Architecture of Columnar Nacre, and Implications for Its Formation Mechanism
2007-06-01

We analyze the structure of Haliotis rufescens nacre, or mother-of-pearl, using synchrotron spectromicroscopy and x-ray absorption near-edge structure spectroscopy. We observe imaging contrast between adjacent individual nacre tablets, arising because different tablets have different crystal orientations with ...

NASA Astrophysics Data System (ADS)

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181
X-ray absorption near edge theory. Final report
1997-05-01

One of the long term research goals has been to attain a quantitative theory of deep core X-ray spectroscopies. These spectroscopies include X-ray absorption fine structure (XAFS), X-ray absorption near edge structure (XANES), X-ray magnetic circular dichroism (XMCD), ...

DOE Information Bridge

182
Kinetically Controlled Vapor-Diffusion Synthesis of Novel ...
2005-11-01

... X-Ray absorption near edge spectroscopy (XANES); Co-K-edge EXAFS spectra were collected at the Stanford Synchrotron Radiation Laboratory ...

DTIC Science & Technology

183
Ab initio X-ray absorption spectroscopy study of the solvation structure of Th(IV), U(IV), and Np(IV) in aqueous solution.
2011-02-28

The coordination structures of U(IV), Np(IV), and Th(IV) in aqueous solution have been determined by studying the X-ray absorption near edge structure (XANES) of the actinide (An) L(3)-edge absorption spectra. The high sensitivity of XANES to the bonding geometry provides ...

PubMed

184
X-ray absorption near edge structure study on Acutolysin-C, a zinc-metalloproteinase from Agkistrodon acutus venom: Insight into the acid-inactive mechanism
2007-11-01

Acutolysin-C, a snake-venom zinc metalloproteinase, displays a distinct pH-dependent proteolytic activity, which has been tentatively assigned to a structural change of the zinc-containing catalytic center. In this work we compare X-ray absorption near-edge structure (XANES) experimental spectra at the Zn K-edge ...

NASA Astrophysics Data System (ADS)

185
Sulfur speciation in heavy petroleums: Information from X-ray absorption near-edge structure
1991-03-01

The chemical speciation of sulfur in heavy petroleums, petroleum source rock extracts, and source rock pyrolysis products was studied using X-ray absorption near-edge structure (XANES) spectroscopy. The good energy resolution (ca. 0.5 eV) at the sulfur K edge and the strong dependence of XANES on the sulfur environment combine to give ...

Energy Citations Database

186
Pyrimidine and halogenated pyrimidines near edge x-ray absorption fine structure spectra at C and N K-edges: experiment and theory.
2010-07-21

The inner shell excitation of pyrimidine and some halogenated pyrimidines near the C and N K-edges has been investigated experimentally by near edge x-ray absorption fine structure spectroscopy and theoretically by density functional theory calculations. The selected targets, 5-Br-pyrimidine, 2-Br-pyrimidine, ...

PubMed

187
Mn Occupations in Ga1-xMnxN Dilute Magnetic Semiconductors Probed by X-Ray Absorption Near-Edge Structure Spectroscopy
2007-02-02

X-ray absorption near-edge structure (XANES) is used to study the characteristics of different sites of Mn in the Ga1-xMnxN dilute magnetic semiconductor (DMS) with zinc-blende structure. The XANES spectra of representative Mn occupation sites (substitutional MnGa, interstitial MnI, MnGa-MnI dimer and Mn cluster) ...

Energy Citations Database

188
Mn Occupations in Ga1-xMnxN Dilute Magnetic Semiconductors Probed by X-Ray Absorption Near-Edge Structure Spectroscopy
2007-02-01

X-ray absorption near-edge structure (XANES) is used to study the characteristics of different sites of Mn in the Ga1-xMnxN dilute magnetic semiconductor (DMS) with zinc-blende structure. The XANES spectra of representative Mn occupation sites (substitutional MnGa, interstitial MnI, MnGa-MnI dimer and Mn cluster) ...

NASA Astrophysics Data System (ADS)

189
Local electronic structure of phosphorus-doped ZnO films investigated by X-ray absorption near-edge spectroscopy
2009-03-01

Using X-ray absorption near-edge structure spectroscopy (XANES), we investigate the local electronic structure of phosphorus (P) and its chemical valence in laser-ablated n- type ( as- grown), and p- type ( annealed) P-doped ZnO thin films. Both the P L 1- and P L 2,3-edge XANES spectra reveal that the valence ...

NASA Astrophysics Data System (ADS)

190
Identification of Mn site in Pb(Zr,Ti)O{sub 3} by synchrotron x-ray absorption near-edge structure: Theory and experiment
2007-03-05

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 ...

Energy Citations Database

191
Identification of Mn site in Pb(Zr,Ti)O3 by synchrotron x-ray absorption near-edge structure: Theory and experiment
2007-03-01

Synchrotron x-ray absorption near-edge structure (XANES) experiments are performed on Mn-doped PbZr1-xTixO3 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 ...

NASA Astrophysics Data System (ADS)

192
Electronic structure and optical properties of 2,5,8,11-tetra-tert-butylperylene polyhedral crystals from x-ray absorption near-edge structure and x-ray excited optical luminescence studies
2011-06-01

X-ray absorption near-edge structure (XANES) and x-ray excited optical luminescence (XEOL) have been used to study the optical properties of 2,5,8,11-tetra-tert-butylperylene (TBPe) polyhedral crystals with morphology varies from cube to rhombic dodecahedron. Benefit from the high resolution of synchrotron radiation spectroscopy, C 1s ...

NASA Astrophysics Data System (ADS)

193
Chlorination mechanism of carbon during dioxin formation using Cl-K near-edge X-ray-absorption fine structure.
2010-01-01

Many environmental organic chemicals have chloride in their structure. Thus, researching the chlorination mechanism of carbon is of interest. Dioxins are typically concentrated in fly ash collected from the post-combustion zone during the operation of municipal solid waste incinerators. In this study, we report the application of Cl-K near-edge ...

PubMed

194
Characterization of Surfaces Presenting Covalently Immobilized Oligopeptides using Near-Edge X-Ray Absorption Fine Structure Spectroscopy
2010-05-04

This study addresses the need for methods that validate the surface chemistry leading to the immobilization of biomolecules and provide information about the resulting structural configurations. We report on the use of near edge x-ray absorption fine structure spectroscopy (NEXAFS) to ...

PubMed Central

195
Assessment of chemical species of lead accumulated in tidemarks of human articular cartilage by X-ray absorption near-edge structure analysis
2011-03-01

A highly specific accumulation of the toxic element lead was recently measured in the transition zone between non-calcified and calcified normal human articular cartilage. This transition zone, the so-called �tidemark�, is considered to be an active calcification front of great clinical importance. However, little is known about the mechanisms of accumulation and the chemical form of Pb in ...

PubMed Central

196
High-power 1 kHz laser-plasma x-ray source for ultrafast x-ray absorption near-edge spectroscopy in the keV range
2008-09-01

A high average power broadband x-ray source is developed in the multi-keV range, based on the thermal emission of plasmas produced with a 1 kHz fs laser focused on high Z element target. This compact ultrafast x-ray source is used to measure the x-ray absorption near-edge spectroscopy of aluminum K-edge (1.559 keV) with noise lower than 1% of the ...

NASA Astrophysics Data System (ADS)

197
Near-edge X-ray Absorption Fine Structure of PdO at O K-edge
2005-06-01

The first-principles band structure calculations are carried out to interpret the spectral fine structure of the near-edge X-ray absorption fine structure (NEXAFS) spectrum of PdO at the O K-edge by the full-potential augmented plane wave plus local orbitals (APW+lo) method. The observed NEXAFS fine ...

NASA Astrophysics Data System (ADS)

198
Three-dimensional local structure refinement using a full-potential XANES analysis
2007-04-01

A technique of three-dimensional (3D) local structure refinement is proposed and demonstrated by applying it to the metal complex Ni(acacR){sub 2}. The method is based on the fitting of experimental x-ray absorption near-edge structure (XANES) using a multidimensional interpolation of spectra and full potential ...

Energy Citations Database

199
Electronic structure of GaInN semiconductors investigated by x-ray absorption spectroscopy
2011-05-01

We have investigated the electronic structure of GaInN semiconductors by performing x-ray absorption near-edge fine structure (XANES) spectroscopy at Ga K-edge and self-consistent-field real-space multiple-scattering theory calculations. It was demonstrated that the nondestructive Ga K-edge XANES spectra can be ...

NASA Astrophysics Data System (ADS)

200
Strain Effects in La0.7Sr0.3MnO3 Films by X-ray Absorption Spectroscopy
2003-01-24

We report on Mn K-edge X-ray absorption study, in plane and out of plane, of La0.7Sr0.3MnO3 films, epitaxially grown on a tensile substrate SrTiO3 by laser ablation. From Extended X-ray Absorption Fine Structure in the film plane we observe a small increase of Mn-Mn distances with respect to relaxed film. In addition, a small ...

Energy Citations Database

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