Search results for "Surface-extended X-ray absorption fine structure"

showing 4 items of 4 documents

Interpretation of the Ni K-edge EXAFS in nanocrystalline nickel oxide using molecular dynamics simulations

2011

Abstract Analysis of atomic structure at the nanoscale is a challenging task, complicated by relaxation phenomena and thermal disorder. In this work, the x-ray absorption spectroscopy at the Ni K-edge was used to address this problem in nanocrystalline NiO (nano-NiO) at 300 K. The analysis of the first two coordination shells using conventional two-shell single-scattering approximation allowed us to determine the expansion of the average lattice but contraction of the Ni―O bonds in the first coordination shell in nano-NiO in comparison with the bulk nickel oxide. The EXAFS signal generated within the first six coordination shells (up to ~ 6.5 A) was successfully interpreted using classical …

Absorption spectroscopyExtended X-ray absorption fine structureChemistryNickel oxideAb initioAnalytical chemistry02 engineering and technology021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesNanocrystalline materialElectronic Optical and Magnetic MaterialsCondensed Matter::Materials ScienceMolecular dynamicsK-edgeChemical physicsSurface-extended X-ray absorption fine structure0103 physical sciencesMaterials ChemistryCeramics and Compositesddc:660010306 general physics0210 nano-technology
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Extended X-Ray Absorption Fine Structure Spectroscopy of Perovskite-Type Compounds

2000

Application of the extended x-ray absorption fine structure (EXAFS) spectroscopy to a study of the local atomic structure in perovskitetype materials is discussed on the example of several compounds (m-WO3, NaxWO3, ReO3 and FeF3). The sensitivity of the EXAFS to the out-of-center and rotational distortions is discussed in details.

Extended X-ray absorption fine structureChemistrySurface-extended X-ray absorption fine structureAnalytical chemistrySpectroscopyAbsorption (electromagnetic radiation)Perovskite (structure)X-ray absorption fine structure
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Analysis of extended x-ray absorption fine structure data from copper tungstate by the reverse Monte Carlo method

2014

The static disorder and lattice dynamics of crystalline materials can be efficiently studied using reverse Monte Carlo simulations of extended x-ray absorption fine structure spectra (EXAFS). In this work we demonstrate the potentiality of this method on an example of copper tungstate CuWO4. The simultaneous analysis of the Cu K and W L3 edges EXAFS spectra allowed us to follow local structure distortion as a function of temperature.

Materials scienceExtended X-ray absorption fine structurechemistry.chemical_elementReverse Monte CarloCondensed Matter PhysicsCopperMolecular physicsAtomic and Molecular Physics and OpticsSpectral lineCondensed Matter::Materials Sciencechemistry.chemical_compoundTungstatechemistrySurface-extended X-ray absorption fine structureDistortionddc:530Absorption (electromagnetic radiation)Mathematical PhysicsPhysica Scripta
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Single crystal EXAFS at high pressure

2000

Abstract We present a new technique for structure characterization under high pressure conditions. The use of an undulator beam of the third-generation ESRF source of synchrotron radiation has enabled the first single crystal EXAFS experiments at high pressure using a diamond anvil cell as pressure generator. Taking advantage of the linear polarization of X-rays the technique becomes an orientation-selective probe of the local structure of materials. We describe the principle of the technique and some applications.

[SPI.ACOU]Engineering Sciences [physics]/Acoustics [physics.class-ph]Materials science[SDU.STU.GP]Sciences of the Universe [physics]/Earth Sciences/Geophysics [physics.geo-ph]business.industryLinear polarizationSynchrotron radiation02 engineering and technologyUndulator021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesDiamond anvil cellCharacterization (materials science)OpticsSurface-extended X-ray absorption fine structure0103 physical sciences[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci][PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]010306 general physics0210 nano-technologybusinessSingle crystalComputingMilieux_MISCELLANEOUSBeam (structure)High Pressure Research
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