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X-ray Absorption Fine Structure (x-ray + absorption_fine_structure)
Kinds of X-ray Absorption Fine Structure Terms modified by X-ray Absorption Fine Structure Selected AbstractsExtended X-ray Absorption Fine Structure Study of Copper(I) and Copper(II) Complexes in Atom Transfer Radical PolymerizationEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 11 2003Tomislav Pintauer Abstract Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy has been used to investigate structural features of CuIBr and CuIIBr2 complexes with dNbpy, PMDETA, Me6TREN, tNtpy, and Me4CYCLAM in various solvents {dNbpy = 4,4,-bis(5-nonyl)-2,2,-bipyridine, PMDETA = N,N,N,,N,,,N,, -pentamethyldiethylenetriamine, Me6TREN = tris[2-(dimethylamino)ethyl]amine, tNtpy = 4,4,,4,,-tris(5-nonyl)-2,2,:6,,2,,-terpyridine, Me4CYCLAM = 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane}. The structures of the CuI and CuII complexes were found to depend on the solvent polarity and the number of nitrogen atoms in the ligand. Generally, in non-polar media and with monomers typically used in ATRP, CuI complexes preferred a tetracoordinate geometry, and were either ionic as observed in [CuI(dNbpy)2]+[CuIBr2], (CuI,NAV = 2.00 Å, CuI,BrAV = 2.25 Å) and [CuI(Me4CYCLAM)]+[CuIBr2], (CuI,NAV = 2.06 Å, CuI,BrAV = 2.23 Å), or neutral as in [CuI(PMDETA)Br] (CuI,NAV = 2.12 Å, CuI,BrAV = 2.33 Å), and [CuI(tNtpy)Br] (CuI,NAV = 2.03 Å, CuI,BrAV = 2.29 Å). The EXAFS analysis of CuIIBr2 complexes indicated a preference for a coordination number of five, such as in [CuII(dNbpy)2Br]+[Br], (CuII,NAV = 2.03 Å, CuII,BrAV = 2.43 Å), [CuII(PMDETA)Br2] (CuII,NAV = 2.03 Å, CuII,Br1,AV = 2.44 Å, CuII,Br2,AV = 2.64 Å) and [CuII(Me6TREN)Br]+[Br], (CuII,NAV = 2.09 Å, CuII -BrAV = 2.39 Å), with the exception of the neutral tetracoordinate [CuII(dNbpy)Br2] (CuII,NAV = 2.02 Å, CuII,BrAV = 2.36 Å), which has been observed in non-polar media. Additionally, polar media were found to favor bromide dissociation in [CuII(Me6TREN)Br]+[Br], and [CuII(PMDETA)Br2], as indicated by a decrease in the Br and Cu coordination numbers at the Cu- and Br- K -edges, respectively. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003) [source] Optimization of an Iron Intercalated Montmorillonite Preparation for the Removal of Arsenic at Low Concentrations,ENGINEERING IN LIFE SCIENCES (ELECTRONIC), Issue 1 2007D. Masih Abstract A series of iron intercalated montmorillonites (Fe-Monts) were prepared using (i) ion exchange of native sodium and calcium ions with iron ions, (ii) base hydrolysis of inserted iron ions in montmorillonite suspension, and (iii) insertion of pre-hydrolyzed iron colloid in montmorillonite. The materials were characterized by X-ray diffraction and gas adsorption-desorption techniques. The basal d(001)-spacing and BET specific surface area increased after the intercalation of iron species in montmorillonite. Local iron structure studied by X-ray absorption fine structure (XAFS) spectroscopy showed an unsaturation of the Fe···Fe coordination number (N 2.5) of the intercalated iron species as compared to the bulk iron oxyhydroxides (N 6). The Fe-Monts were employed for arsenic removal from aqueous solutions at low concentration (0.2,16 mg/L). Among the Fe-Monts, the one prepared by the hydrolysis of inserted iron ions, was the best in performance. The saturation adsorption amount of the optimized iron-montmorillonite was 4 and 28 times higher for the removal of arsenite and arsenate, respectively, as compared to bulk iron oxyhydroxide (goethite). Compared with bulk iron oxyhydroxide, the Fe-Monts were superior for arsenate uptake and comparable for arsenite. In addition, arsenite adsorbed on the Fe-Monts was found to be oxidized to arsenate based on XAFS spectroscopy. [source] X-Ray absorption fine structure analysis of the local environment of zinc in dentine treated with zinc compoundsEUROPEAN JOURNAL OF ORAL SCIENCES, Issue 2 2005Tsutomu Takatsuka It has been reported that zinc oxide (ZnO) inhibits dentine demineralization. By using the X-ray absorption fine structure (XAFS) technique, our aims in this study were to provide information about the local environment of zinc atoms in dentine that had been treated with zinc compounds. We measured the Zn K-edge X-ray absorption near-edge structure (XANES) and the extended X-ray absorption fine structure (EXAFS) of dentine specimens treated with zinc chloride or ZnO. In XAFS analyses, the spectra of dentine specimens treated with ZnO (D-ZO) or with zinc chloride (D-ZC) were similar and obviously different from the reference ZnO spectrum. This suggests that most of the zinc atoms detected in D-ZO are not derived from particles of ZnO. The spectra of D-ZO and D-ZC were similar to the spectrum of the synthetic, zinc-containing hydroxyapatite, but were not similar to that of zinc in ZnCl2 -treated collagen. The results of this study suggest that most of the zinc atoms detected were attached to hydroxyapatite and not to collagen. [source] Application of Synchrotron Radiation Techniques for Model Validation of Advanced Structural Materials,ADVANCED ENGINEERING MATERIALS, Issue 6 2009Annick Froideval Abstract Synchrotron radiation techniques represent powerful tools to characterize materials down to the nanometer level. This paper presents a survey of the state-of-the-art synchrotron-based techniques which are particularly well-suited for investigating materials properties. Complementary X-ray absorption techniques such as extended X-ray absorption fine structure (EXAFS), X-ray magnetic circular dichroism (XMCD), photoemission electron microscopy (PEEM) are used to address the individual local atomic structure and magnetic moments in Fe,Cr model systems. The formation of atomic clusters/precipitates in such systems is also investigated by means of scanning transmission X-ray microscopy (STXM). Such advanced analytical techniques can not only offer valuable structural and magnetic information on such systems, they can also serve for validating computational calculations performed at different time and length scales which can help improve materials lifetime predictions. [source] Alkyl-Chain-Length-Independent Hole Mobility via Morphological Control with Poly(3-alkylthiophene) NanofibersADVANCED FUNCTIONAL MATERIALS, Issue 5 2010Wibren D. Oosterbaan Abstract The field-effect transistor (FET) and diode characteristics of poly(3-alkylthiophene) (P3AT) nanofiber layers deposited from nanofiber dispersions are presented and compared with those of layers deposited from molecularly dissolved polymer solutions in chlorobenzene. The P3AT n -alkyl-side-chain length was varied from 4 to 9 carbon atoms. The hole mobilities are correlated with the interface and bulk morphology of the layers as determined by UV,vis spectroscopy, transmission electron microscopy (TEM) with selected area electron diffraction (SAED), atomic force microscopy (AFM), and polarized carbon K -edge near edge X-ray absorption fine structure (NEXAFS) spectroscopy. The latter technique reveals the average polymer orientation in the accumulation region of the FET at the interface with the SiO2 gate dielectric. The previously observed alkyl-chain-length-dependence of the FET mobility in P3AT films results from differences in molecular ordering and orientation at the dielectric/semiconductor interface, and it is concluded that side-chain length does not determine the intrinsic mobility of P3ATs, but rather the alkyl chain length of P3ATs influences FET diode mobility only through changes in interfacial bulk ordering in solution processed films. [source] Functional Chromium Wheel-Based Hybrid Organic,Inorganic Materials for Dielectric ApplicationsADVANCED FUNCTIONAL MATERIALS, Issue 20 2009Vito Di Noto Abstract The first example of organic,inorganic hybrid materials based on the embedding of a chromium,nickel wheel cluster {[(n-C3H7)2NH2]- [Cr7NiF8(O2C4H5)16]} (Cr7Ni) into poly(methyl methacrylate) (PMMA) and the characterization of the dielectric properties of the obtained material is described. By an optimized copolymerization of the methacrylate-functionalized chromium,nickel wheel with methyl methacrylate in a cluster/monomer 1:200 molar mixture, a homogeneous hybrid material CrNi_MMA200 is obtained. The electrical responses of the non-doped PMMA and of the hybrid material were studied by broadband dielectric spectroscopy (BDS) from 0.01,Hz to 10,MHz and over the temperature range of 5,115,°C. The permittivity profiles reveal two relaxation peaks in the materials, which correspond to the , and , relaxation modes of the PMMA matrix. The position of these modes shifts toward higher frequencies as temperature increases. BDS is a powerful tool revealing the intimate miscibility of the various components of the hybrid material, thus indicating that, on a molecular scale, the material proposed is a homogeneous system. Finally, a value of the dielectric constant of 2.9 at 25,°C and 1,kHz is determined. This value is noticeably lower than the value of 3.2 obtained for pristine PMMA prepared following the same synthesis protocol. Thus, these results classify the hybrid CrNi_MMA200 as an appealing starting material for the development of dielectric polymeric layers for the development of innovative capacitors, transistors, and other microelectronic devices. The vibrational properties of the hybrid materials are investigated by Fourier-transform infrared (FT-IR) and Raman spectroscopy, whereas the thermal behavior is analyzed by thermogravimetric analysis (TGA). Swelling experiments are used to qualitatively evaluate the crosslinking density of the hybrid materials. The integrity of the wheels once embedded in the macromolecular backbone is confirmed by extended X-ray absorption fine structure (EXAFS) and electron spin resonance (EPR) spectroscopic measurements. [source] UV-vis-Induced Vitrification of a Molecular Crystal,ADVANCED FUNCTIONAL MATERIALS, Issue 10 2007T. Naito Abstract A charge-transfer complex of 2,5-dimethyl- N,N,-dicyanoquinonediimine (DM) with silver (crystalline Ag(DM)2, defined as ,) is irreversibly transformed by UV-vis illumination. Depending on the illumination conditions, three new types of solids (defined as ,, ,, and ,) with different structural and physical properties are obtained and examined by a variety of analytical techniques, including solid-state, high-resolution, cross-polarization magic angle spinning (CP-MAS) 13C,NMR, elemental analysis (EA), mass spectrometry (MS), X-ray absorption fine structure (XAFS), and powder X-ray diffraction (XRD). The CP-MAS, EA, MS, and XAFS results indicate that compound , is a glass state of Ag(DM)2. The transformation from crystalline (,) to amorphous (,) solid Ag(DM)2 is an irreversible exothermic glass transition (glass-transition temperature 155.2,°C; ,H,=,,126.8,kJ,mol,1), which implies that the glass form is thermodynamically more stable than the crystalline form. Compound , (Ag(DM)1.5) consists of silver nanoparticles (diameter (7,±,2),nm ) dispersed in a glassy matrix of neutral DM molecules. The N,CN,Ag coordination bonds of the , form are not maintained in the , form. Decomposition of , by intense illumination results in a white solid (,), identified as being composed of silver nanoparticles (diameter (60,±,10),nm). Physical and spectroscopic (XAFS) measurements, together with XRD analysis, indicate that the silver nanoparticles in both , and , are crystalline with lattice parameters similar to bulk silver; however, the magnetic susceptibilities differ from bulk silver. [source] Surface-Transfer Doping of Organic Semiconductors Using Functionalized Self-Assembled Monolayers,ADVANCED FUNCTIONAL MATERIALS, Issue 8 2007W. Chen Abstract Controlling charge doping in organic semiconductors represents one of the key challenges in organic electronics that needs to be solved in order to optimize charge transport in organic devices. Charge transfer or charge separation at the molecule/substrate interface can be used to dope the semiconductor (substrate) surface or the active molecular layers close to the interface, and this process is referred to as surface-transfer doping. By modifying the Au(111) substrate with self-assembled monolayers (SAMs) of aromatic thiols with strong electron-withdrawing trifluoromethyl (CF3) functional groups, significant electron transfer from the active organic layers (copper(II) phthalocyanine; CuPc) to the underlying CF3 -SAM near the interface is clearly observed by synchrotron photoemission spectroscopy. The electron transfer at the CuPc/CF3 -SAM interface leads to an electron accumulation layer in CF3 -SAM and a depletion layer in CuPc, thereby achieving p-type doping of the CuPc layers close to the interface. In contrast, methyl (CH3)-terminated SAMs do not display significant electron transfer behavior at the CuPc/CH3 -SAM interface, suggesting that these effects can be generalized to other organic-SAM interfaces. Angular-dependent near-edge X-ray absorption fine structure (NEXAFS) measurements reveal that CuPc molecules adopt a standing-up configuration on both SAMs, suggesting that interface charge transfer has a negligible effect on the molecular orientation of CuPc on various SAMs. [source] Theoretical studies on farnesyl transferase: Evidence for thioether product coordination to the active-site zinc sphereJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 7 2007Sérgio Filipe Sousa Abstract Farnesyltransferase (FTase), an interesting zinc metaloenzyme, has been the subject of great attention in anticancer research over the last decade. However, despite the major accomplishments in the field, some very pungent questions on the farnesylation mechanism still persist. In this study, the authors have analyzed a mechanistic paradox that arises from the existence of several contradicting and inconclusive experimental evidence regarding the existence of direct coordination between the active-site zinc cation and the thioether from the farnesylated peptide product, which include UV,vis spectroscopy data on a Co2+ -substituted FTase, two X-ray crystallographic structures of the FTase-product complex, and extended X-ray absorption fine structure results. Using high-level theoretical calculations on two models of different sizes, and QM/MM calculations on the full enzyme, the authors have shown that the farnesylated product is Zn coordinated, and that a subsequent step where this Zn bond is broken is coherent with the available kinetic results. Furthermore, an explanation for the contradicting experimental evidence is suggested. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2007 [source] Micro-structural characterization of red decorations of red and green color porcelain (Honglvcai) in ChinaJOURNAL OF RAMAN SPECTROSCOPY, Issue 8 2009Lihua Wang Abstract Red and green color porcelain (Honglvcai) is an important type of polychrome porcelains invented in North China during Song and Jin Dynasties. One of its great successes is its red decoration painted on the surface of glaze and fired at low temperature. Raman spectroscopy and X-ray absorption fine structure (XAFS) at Fe K-edge, were used to characterize the microstructure of red decorations from Song and Jin Dynasties to Ming Dynasty. The analyzing results on eight samples showed that hematite (,-Fe2O3) was the main chromogenic substance in red decorations from different dynasties, which indicated a similar technological skill among the investigated samples. The oxidation state of iron in red decorations was determined to be mainly trivalent, indicating that red decorations were fired under oxidizing atmosphere. Besides, it was found that the hematite (,-Fe2O3) in red decorations had a distorted structure, which was presumed to be an important factor influencing the color of red decorations. Copyright © 2009 John Wiley & Sons, Ltd. [source] Soft X-ray characterization technique for Li batteries under operating conditionsJOURNAL OF SYNCHROTRON RADIATION, Issue 5 2009Cole F. Petersburg O K -edge and Co L -edge near-edge X-ray absorption fine structure has been used to examine the cathode of an intact solid-state lithium ion battery. The novel technique allowed for the simultaneous acquisition of partial electron yield and fluorescence yield data during the first charge cycle of a LiCoO2 -based battery below the intercalation voltage. The chemical environments of oxygen and cobalt at the surface are shown to differ chemically from those in the bulk. The present design enables a wide variety of in situ spectroscopies, microscopies and scattering techniques. [source] EXAFS study of local atomic order about iodine in thyroxine, rat, human and sheep thyroidsJOURNAL OF SYNCHROTRON RADIATION, Issue 6 2008B. R. Orton Radioactive 125I emits short-range Auger electrons and represents a human health risk when incorporated in thyroglobulin of the thyroid. Quantitative evaluation of this risk can only be realised if local atomic order about iodine in the thyroid is known. Here, extended X-ray absorption fine structure (EXAFS) has been used to probe the local structure about iodine in pure thyroid hormone, thyroxine. These data are consistent with a model where iodine is bound to a single iodinated carbon ring linked to an oxygen atom, similar to a previously published model for monoiodotyrosine, a major iodinated residue in thyroglobulin. Several structural models for the local environment of iodine from rat, human and sheep have been tested and these data are found to be compatible with a slightly modified environment with respect to that found for thyroxine. The best-fit models include the following three components: (i) iodine covalently bonded to a tyrosine ring, as found for thyroxine; (ii) iodine bonded quasi-covalently to a carbonyl ligand in partially filled (50%) sites; (iii) partially filled sites (50,40%) of carbonyl ligands, with oxygen at van der Waals distances from iodine. Advantages of using Fourier-filtered EXAFS for complex crystal structures are discussed. [source] Developing 100,ps-resolved X-ray structural analysis capabilities on beamline NW14A at the Photon Factory Advanced RingJOURNAL OF SYNCHROTRON RADIATION, Issue 4 2007Shunsuke Nozawa NW14A is a newly constructed undulator beamline for 100,ps time-resolved X-ray experiments at the Photon Factory Advanced Ring. This beamline was designed to conduct a wide variety of time-resolved X-ray measurements, such as time-resolved diffraction, scattering and X-ray absorption fine structure. Its versatility is allowed by various instruments, including two undulators, three diffractometers, two pulse laser systems and an X-ray chopper. The potential for the detection of structural changes on the 100,ps time scale at NW14A is demonstrated by two examples of photo-induced structural changes in an organic crystal and photodissociation in solution. [source] Magnetic X-ray absorption fine structure for Ni,Mn alloysJOURNAL OF SYNCHROTRON RADIATION, Issue 2 2003T. Miyanaga Magnetic X-ray absorption fine-structure (XAFS) spectra have been measured for Ni,Mn alloys. The magnetic XAFS in the near-edge region (X-ray absorption near-edge structure, XANES) and X-ray magnetic circular dichroism (XMCD) of the Mn and Ni K -edge for Ni1,xMnx (x = 0.25, 0.24 and 0.20) show that (i) the local magnetic structure around the Mn atom is quite different from that around the Ni atom, and (ii) the peak intensity in the magnetic XANES of the Mn K -edge depends on the magnetization of the sample in contrast to the Ni K -edge. The Mn K -edge magnetic EXAFS (extended XAFS) for Ni0.76Mn0.24 is also measured. The second and fourth peaks in the Fourier transform are observed to be enhanced in comparison with the non-magnetic EXAFS, indicating that the second- and fourth-shell Ni atoms are replaced by Mn atoms due to heat treatment (atomic ordering). Semi-relativistic theoretical calculation explains the observed magnetic EXAFS. [source] Musings about the development of XAFSJOURNAL OF SYNCHROTRON RADIATION, Issue 2 2001Edward A. Stern A personal recollection of the development of X-ray absorption fine structure (XAFS) into a structure-determination technique is presented. Because of confusion in the theoretical explanation of the `Kronig structure', now called EXAFS, the extended XAFS, its explanation remained unresolved for about 40 years. As I was introduced to the EXAFS phenomenon by Farrel Lytle and saw his impressive data, the thought came to me that scattering of the photoelectron from surrounding atoms could be the mechanism of the effect. My graduate student, Dale Sayers, agreed to work on developing the theory under my supervision and to make EXAFS measurements under Lytle's supervision as his PhD thesis. The theory led to the idea of a Fourier transform of the EXAFS, which showed peaks from surrounding atoms, proving the validity of the theory and suggesting the method of structure determination by using standards from known structures. Within a few years, facilities at synchrotron sources were developed to measure XAFS, opening up the technique to the general scientific community. In spite of some initial growing pains, XAFS has matured into a powerful technique for local structure and has been applied to obtain magnetic structure, in addition to distribution of atoms. Other related techniques have been spawned from XAFS, expanding the impact of the original phenomenon. [source] Measurements of photon interference X-ray absorption fine structure (,XAFS)JOURNAL OF SYNCHROTRON RADIATION, Issue 2 2001Larc Tröger Experimental data are presented which demonstrate the existence of a fine structure in extended X-ray absorption spectra due to interference effects in the initial photon state (,XAFS). Interference occurs between the incident electromagnetic wave and its coherently scattered waves from neighboring atoms. Using fine platinum and tungsten powders as well as polycrystalline platinum foil, ,XAFS was measured in high-precision absorption experiments at beamline X1 at HASYLAB/DESY over a wide energy range. ,XAFS is observed below and above absorption-edge positions in both transmission and total-electron-yield detection. Based on experimental data it is shown that ,XAFS is sensitive to geometric atomic structure. Fourier-transformed ,XAFS data carry information, comparable with that of EXAFS, about the short-range-order structure of the sample. Sharp structures occur in ,XAFS when a Bragg backscattering condition of the incident X-rays is fulfilled. They allow precise measurement of long-range-order structural information. Measured data are compared with simulations based on ,XAFS theory. Although ,XAFS structures are similarly observed in two detection techniques, the importance of scattering off the sample for the measurements needs to be investigated further. Disentangling ,XAFS, multielectron photoexcitations and atomic XAFS in high-precision measurements close to absorption edges poses a challenge for future studies. [source] Development of an in situ polarization-dependent total-reflection fluorescence XAFS measurement systemJOURNAL OF SYNCHROTRON RADIATION, Issue 2 2001Wang-Jae Chun An in situ polarization-dependent total-reflection fluorescence X-ray absorption fine structure (PTRF-XAFS) spectroscopy system has been developed, which enables PTRF-XAFS experiments to be performed in three different orientations at various temperatures (273,600,K) and pressures (10,10,760,torr). The system consists of a measurement chamber and a preparation chamber. The measurement chamber has a high-precision six-axis goniometer and a multi-element solid-state detector. Using a transfer chamber, also operated under ultra-high-vacuum conditions, the sample can be transferred to the measurement chamber from the preparation chamber, which possesses low-energy electron diffraction, Auger electron spectroscopy and X-ray photoelectron spectroscopy facilities, as well as a sputtering gun and an annealing system. The in situ PTRF-EXAFS for Cu species on TiO2 (110) has been measured in three different orientations, revealing anisotropic growth of Cu under the influence of the TiO2 (110) surface. [source] Symmetry role on the pre-edge X-ray absorption fine structure at the metal K edgeJOURNAL OF SYNCHROTRON RADIATION, Issue 2 2001Ziyu Wu The preedge features in a system with `even' symmetry, apart from quadrupolar transition contribution, are mainly dipolar in character, associated with the existence of unoccupied states made up of mixed cation-4p with higher-neighboring cation-3d orbitals, and reflect the density of states due to the medium-range order of the system. In `odd' symmetry materials these preedge features are the result of a transition from the 1s to a final density of states of p symmetry due to an unsymmetrical mixing of the ligand wave functions with the central cation 3d orbitals, similar to atetrahedral configuration. These results are validated for Fe as a photoabsorber by comparing XAS spectra of Fe2SiO4 (fayalite) to ab initio full multiple scattering calculations at the Fe K edge, but pertain to all systems containing sixfold-coordinated cations. [source] Verification of a distortion in the microstructure of GaN detected by EXAFS using ab initio density functional theory calculationsJOURNAL OF SYNCHROTRON RADIATION, Issue 2 2001Nicholas Dimakis X-ray absorption fine structure (XAFS) measurements on a series of epitaxially grown GaN samples have shown a distortion in the microstructure of GaN. More specifically the central N atom is 4-fold coordinated but the four Ga atoms are not equidistant. It has been shown that 2.9 to 3.5 of them (depending on the growth conditions) are found in the expected from XRD distance of 1.94 Å and the remaining are at a distance longer by approximately 15%. Second derivative calculation of the conformation energy using the Density Functional Theory (DFT) is used to investigate if the symmetric GaN cluster as given by XRD is the most energetically favorable configuration and if not which distorted structure corresponds to the most energetically favorable one. A very good agreement between DFT results and experimental XAFS spectra has been found. Generalization this technique to other dislocated clusters is also discussed. [source] XAFS study on gallium ions implanted in silicon carbideJOURNAL OF SYNCHROTRON RADIATION, Issue 2 2001Hirotaka Yamaguchi Local structure of gallium ions implanted in silicon carbide has been investigated using extended X-ray absorption fine structure on the Ga K-edge. The crystallinity of the implantation layer is compared in the samples prepared under several different conditions of implantation temperature and post-implantation annealing. It is found that significant damage is induced by the implantation at room temperature, but the crystallinity recovers by the subsequent annealing at high temperature at 1600 °C. On the other hand, the best crystallinity is obtained by the implantation at high temperature of 500 °C, but the annealing results in degrading the crystallinity. This indicates an influence of the post-implantation annealing at high temperature on the crystallinity in atomic level, which relates to the secondary defects in lattice observed by electron microscope. [source] Site-selective XAFS spectroscopy tuned to surface active sites of Cu/ZnO and Cr/SiO2 catalystsJOURNAL OF SYNCHROTRON RADIATION, Issue 2 2001Yasuo Izumi XAFS (X-ray absorption fine structure) spectra were measured by using the fluorescence spectrometer for the emitted X-ray from sample. The chemical shifts between Cu0 and CuI and between CrIII and CrVI were evaluated. Tuning the fluorescence spectrometer to each energy, the Cu0 and CuI site-selective XANES for Cu/ZnO catalyst were measured. The first one was similar to the XANES of Cu metal and the second one was the 5 : 5 average of XANES for CuI sites + Cu metal. The population ratio of copper site of the Cu/ZnO catalyst was found to be Cu metal : Cu2O : CuI atomically dispersed on surface = 70(±23) : 22(±14) : 8(±5). Site-selective XANES for CrIII site of Cr/SiO2 catalyst was also studied. [source] Determination of dissociation energy for ligand exchange reaction from EXAFSJOURNAL OF SYNCHROTRON RADIATION, Issue 2 2001T. Miyanaga EXAFS (extended X-ray absorption fine structure) experiments were performed at several different temperatures for a series of 3d transition metal ions (Cr3+, Fe3+, Fe2+, Ni2+, Co2+, Zn2+) in aqueous solutions. Anharmonic EXAFS analyses, which include up to third order cumulant, were carried out to study on the metal-oxygen bonding potential. According to the model in which the dissociation process is dominant for the ligand-water exchange reaction, the dissociation energy has been first evaluated from EXAFS in solution phase. [source] Chemical Speciation of Trace Zinc in Ordinary Portland Cement Using X-ray Absorption Fine Structure AnalysisJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 12 2004Isao Tsuyumoto Chemical change of trace zinc in ordinary portland cement (205.1 ppm) was investigated in hydration process using X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS). Intensities of the peaks appearing at the same energy of ZnO in XANES spectra were decreased with cement hydration. The interatomic distances and the coordination numbers of the first and the second shells calculated from EXAFS spectra indicated that ZnO hydrolyzed to zincate ion [Zn(OH)4]2, with cement hydration keeping their fundamental structure of ZnO4 tetrahedra. [source] Local structure and magnetic properties of mechanically alloyed Fe60Mn40PHYSICA STATUS SOLIDI (A) APPLICATIONS AND MATERIALS SCIENCE, Issue 8 2008Dong-Seok Yang Abstract Fe60Mn40 alloys were fabricated by mechanical alloying process for 1 h, 4 h, 6 h, 12 h and 24 h, respectively. The structural evolution during the milling process has been investigated by X-ray diffraction and extended X-ray absorption fine structure (EXAFS). The structural investigation shows that the alloying was activated in 6 h and progressed significantly in 24 h. Also, it showed that the BCC characteristics of the mixed powder remained after 6 h milling but disappeared after 12 h milling. It has been shown that variations of magnetic properties were closely related to the local structural evolution. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Local structure in (MnS)2x(CuInS2)1,x alloysPHYSICA STATUS SOLIDI (A) APPLICATIONS AND MATERIALS SCIENCE, Issue 11 2006A. Pietnoczka Abstract Local structure around Mn atoms in (MnS)2x(CuInS2)1,x alloys for x , 0.09 has been determined using near-edge and extended X-ray absorption fine structure (XANES and EXAFS) measured at the Mn K-edge. We found that for the Mn concentration up to 9 at% Mn atoms substitute preferentially for indium in the chalcopyrite lattice. The Mn,S bond length is 2.43 ± 0.015 Å, and is about 2% shorter than the In,S bond length. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] EXAFS studies of negative thermal expansion materialsPHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 11 2008Paolo Fornasini Abstract Extended X-ray absorption fine structure (EXAFS) can give information on the local dynamical behavior of crystals, opening new perspectives for understanding the origin of negative thermal expansion (NTE). In this paper, after a short review on the effects of thermal disorder in EXAFS spectra and on the relation between EXAFS and Bragg diffraction, some recent results on crystals with the zincblende and cuprite structures are presented and critically compared. The tension effect giving rise to NTE can be correlated to the anisotropy of the mean square relative displacements measured by EXAFS. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Growth and characterization of InCrN and (In,Ga,Cr)NPHYSICA STATUS SOLIDI (C) - CURRENT TOPICS IN SOLID STATE PHYSICS, Issue 6 2008S. Kimura Abstract InCrN and a new quaternary alloy (In,Ga,Cr)N were synthesized by molecular beam epitaxy. Their structural properties were studied with X-ray diffraction and X-ray absorption fine structure (XAFS). It was found that low temperature growth enables the growth of InCrN and (In,Ga,Cr)N with higher Cr contents, while they were not crystallized at higher substrate temperature (450 °C). XAFS studies suggest that Cr atoms substitute on cation sites and no trace of locally formed secondary phases, such as Cr cluster, CrN (NaCl type) and Cr2N, in the grown InCrN and (In,Ga,Cr)N layers. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Analysis of the local structure of AlN:Mn using X-ray absorption fine structure measurementsPHYSICA STATUS SOLIDI (C) - CURRENT TOPICS IN SOLID STATE PHYSICS, Issue 6 2006Takao Miyajima Abstract The local structure around the Mn atoms in MOCVD-grown AlN:Mn films which show Mn-related red-orange photoluminescence with a 600nm-peak at room temperature was investigated using the X-ray absorption fine structure (XAFS) measurements. We found that Mn atoms occupy Al lattice sites in the AlN film and that the Mn ions have a charge between +2 and +3. From these results, we think that the red-orange luminescence is caused by the transition of d-electrons in the Mn ions. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Picosecond and femtosecond X-ray absorption spectroscopy of molecular systemsACTA CRYSTALLOGRAPHICA SECTION A, Issue 2 2010Majed Chergui The need to visualize molecular structure in the course of a chemical reaction, a phase transformation or a biological function has been a dream of scientists for decades. The development of time-resolved X-ray and electron-based methods is making this true. X-ray absorption spectroscopy is ideal for the study of structural dynamics in liquids, because it can be implemented in amorphous media. Furthermore, it is chemically selective. Using X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) in laser pump/X-ray probe experiments allows the retrieval of the local geometric structure of the system under study, but also the underlying photoinduced electronic structure changes that drive the structural dynamics. Recent developments in picosecond and femtosecond X-ray absorption spectroscopy applied to molecular systems in solution are reviewed: examples on ultrafast photoinduced processes such as intramolecular electron transfer, low-to-high spin change, and bond formation are presented. [source] Aging of Plasma-Deposited Films Prepared from Organic MonomersPLASMA PROCESSES AND POLYMERS, Issue S1 2007Sufal Swaraj Abstract Plasma-deposited polymer films were prepared from organic molecules and investigated using near edge X-ray absorption fine structure (NEXAFS) and X-ray photoelectron spectroscopy (XPS) for aging effects after exposure to air. Results from the investigation of homopolymers are summarized. Primarily the effect of the deposition parameters duty cycle and power are dealt with. The effect of the deposition parameter pressure is briefly discussed. An example to show the effect of feed gas composition on the aging of plasma polymerized ethylene/allyl alcohol and styrene/allyl alcohol copolymer is also given. In general, change in content of unsaturated or aromatic species, change in concentration of monomer functionality, and change in the oxygen content was observed in the plasma polymerized films on aging. [source] | |||||||||||||||||||