NONE-No attached Diamond beamline
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Abstract: High-temperature polyol methods were used to fabricate micro- or nano-sized gold plates. 1,2-propanediol served as both medium and reducing agent. Triangular plates and polygonal plate shapes derived from triangular prisms as well as pentagonal structured gold particles have been synthesized. Poly(vinylpyrrolidone) (PVP) plays an important role, but is not necessary, for the formation of these structures. These gold plates may have applications in the characterisation of adsorbed proteins or peptides
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Mar 2009
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NONE-No attached Diamond beamline
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Abstract: Investigation of radiation damage in protein crystals has progressed in several directions over the past couple of years. There have been improvements in the basic procedures such as calibration of the incident X-ray intensity and calculation of the dose likely to be deposited in a crystal of known size and composition with this intensity. There has been increased emphasis on using additional techniques such as optical, Raman or X-ray spectroscopy to complement X-ray diffraction. Apparent discrepancies between the results of different techniques can be explained by the fact that they are sensitive to different length scales or to changes in the electronic state rather than to movement of atoms. Investigations have been carried out at room temperature as well as cryo-temperatures and, in both cases, with the introduction of potential scavenger molecules. These and other studies are leading to an overall description of the changes which can occur when a protein crystal is irradiated with X-rays at both cryo- and room temperatures. Results from crystallographic and spectroscopic radiation-damage experiments can be reconciled with other studies in the field of radiation physics and chemistry.
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Mar 2009
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NONE-No attached Diamond beamline
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Abstract: The local structure of the Au(111)(?3×?3)R30° -methylthiolate surface phase has been investigated by S?K -edge near-edge s-ray absorption fine structure(NEXAFS) both experimentally and theoretically and by experimental normal-incidence x-ray standing waves (NIXSW) at both the C and S atomic sites. NEXAFS shows not only excitation into the intramolecular ? ? S–C resonance but also into a ? ? S–Au orbital perpendicular to the surface, clearly identifying the local S headgroup site as atop a Au atom. Simulations show that it is not possible, however, to distinguish between the two possible adatom reconstruction models; a single thiolate species atop a hollow-site Au adatom or a dithiolate moiety comprising two thiolate species bonded to a bridge-bonded Au adatom. Within this dithiolate moiety a second ? ? S–Au orbital that lies near parallel to the surface has a higher energy that overlaps that of the ? ? S–C resonance. The new NIXSW data show the S–C bond to be tilted by 61° relative to the surface normal, with a preferred azimuthal orientation in ?211? , corresponding to the intermolecular nearest-neighbor directions. This azimuthal orientation is consistent with the thiolate being atop a hollow-site Au adatom, but not consistent with the originally proposed Au-adatom-dithiolate moiety. However, internal conformational changes within this species could, perhaps, render this model also consistent with the experimental data.
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Mar 2009
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NONE-No attached Diamond beamline
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Abstract: The energy spectrum associated with scattering of 100 keV Hþ ions from the outermost few atomic layers of Cu(111) in different scattering geometries provides direct evidence of trajectory-dependent electronic energy loss. Theoretical simulations, combining standard Monte Carlo calculations of the elastic scattering trajectories with coupled-channel calculations to describe inner-shell ionization and excitation as a function of impact parameter, reproduce the effects well and provide a means for far more complete analysis of medium-energy ion scattering data.
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Mar 2009
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NONE-No attached Diamond beamline
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Abstract: The effect of prolonged contact time (up to 130 days) on the immobilization of Cd by sorption to calcium exchanged zeolite-X (CaX), under environmentally relevant conditions, was studied using both isotopic exchange and extended X-ray absorption fine structure spectroscopy (EXAFS). Sorption and isotopic exchange measurements revealed time-dependent Cd sorption and indicated the movement of Cd2+ ions into less accessible sites due to ageing. EXAFS suggested progressive fixation of Cd in the double six-ring (D6R) unit of the CaX structure. Proportional allocation of the apparent Cd–Si bond distance to two ‘end-members’, across all contact times, indicated that the bond distance for labile Cd was 3.41 Å and for non-labile (or fixed) Cd was 3.47 Å.
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Mar 2009
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NONE-No attached Diamond beamline
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Abstract: Coherent X-ray Diffraction Imaging (CXDI) is a powerful method of imaging single crystalline grains within a powder. Direct Fourier transformation of the oversampled diffraction pattern surrounding a Bragg peak is possible once the phases have been obtained using a 'support' constraint. The image is in general complex with the phase representing a projection of the atomic displacements allowing access to the internal strains inside the crystal. CXDI relies crucially on the production of a coherent beam of X-rays, which is one of tire technical advances of the latest 3rd generation Synchroton Radiation (SR) sources. It is shown here how the use of a secondary Source in the design of the X-ray beamline allows the coherence to be controlled continuously over a finite range without any loss of flux. The conclusions will have significant impact on instruments currently being designed at tire Diamond Light Source and the new National Synchrotron Light Source (NSLS-2).
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Feb 2009
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NONE-No attached Diamond beamline
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Abstract: Using x-ray magnetic dichroism, we characterize the magnetic order in La 0.7 Sr 0.3 MnO 3 (LSMO)/La 0.7 Sr 0.3 FeO 3 (LSFO) superlattices with six unit cell thick sublayers. The LSMO layers exhibit a reduced Curie temperature compared to the bulk while antiferromagnetic order in the LSFO layers persists up to the bulk Néel temperature. Moreover, we find that aligning the LSMO magnetization by a magnetic field within the (001) surface plane leads to a reorientation of the Fe moments as well maintaining a perpendicular orientation of Fe and Mn moments. This perpendicular alignment is due to the frustrated exchange coupling at the LSMO/LSFO interface.
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Feb 2009
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NONE-No attached Diamond beamline
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Abstract: Actinide elements produce a plethora of interesting physical behaviors due to the
5
f
states. This review compiles and analyzes progress in the understanding of the electronic and magnetic structure of the
5
f
states in actinide metals. Particular interest is given to electron energy-loss spectroscopy and many-electron atomic spectral calculations, since there is now an appreciable library of core
d
→
valence
f
transitions for Th, U, Np, Pu, Am, and Cm. These results are interwoven and discussed against published experimental data, such as x-ray photoemission and absorption spectroscopy, transport measurements, and electron, x-ray, and neutron diffraction, as well as theoretical results, such as density-functional theory and dynamical mean-field theory.
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Feb 2009
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NONE-No attached Diamond beamline
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Abstract: The solvation structure of yttrium (III) in dimethyl sulfoxide has been determined by studying both the extended X-ray absorption fine structure (EXAFS) and the X-ray absorption near edge structure (XANES) regions of the Y K-edge absorption spectra. Although the EXAFS technique provides accurate information about the next neighbors coordination distances, no unambiguous determination of the coordination polyhedron is obtained. This failure is counteracted by the study of the near-edge part of the absorption spectrum (XANES) because of its high sensitivity to the bonding geometry. We have performed an extensive and systematic ab initio computation of the Y K-edge XANES spectrum of yttrium (III) in dimethyl sulfoxide within the multiple-scattering framework. The comparison between the experimental data and the theoretical calculations has demonstrated that the solvation sphere of the yttrium cation is best modeled by eight dimethyl sulfoxide molecules each oriented to give an Y−O−S angle close to 130°.
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Feb 2009
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NONE-No attached Diamond beamline
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Abstract: Using soft x-ray spectromicroscopy we show that NiO(001) exhibits a crystallographic and magnetic domain structure near the surface identical to that of the bulk. Upon Co deposition a perpendicular coupling between the Ni and Co moments is observed that persists even after formation of uncompensated Ni spins at the interface through annealing. The chemical composition at the interface alters its crystallographic structure and leads to a reorientation of the Ni moments from the (112) to the (110) direction. We show that this reorientation is driven by changes in the magnetocrystalline anisotropy rather than exchange coupling mediated by residual uncompensated spins.
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Feb 2009
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