Search results for "Extended X-ray absorption fine structure"
showing 10 items of 193 documents
Structural characterization of Pd-Ag and Pd-Cu bimetallic catalysts by means of EXAFS, WAXS and XPS
2000
Bimetallic Pd-Ag and Pd-Cu pumice-supported catalysts have been synthesized following different preparation procedures with the aim of improving the selectivity and reactivity of monometallic Pd/pumice systems. The structural characterization, carried out by X-ray Diffraction, X-ray Absorption and X-ray Photoelectron Spectroscopy, allowed to investigate the importance of the preparation procedures in the alloy formation.
Structure Solution of the High-Pressure Phase of CuWO4 and Evolution of the Jahn–Teller Distortion
2011
In this work, we have investigated the structural behavior of cuproscheelite up to 33.9 GPa by means of high-pressure single-crystal X-ray diffraction (SXRD) and extended X-ray absorption fine structure (EXAFS). According to EXAFS, beyond 9 GPa a phase transition takes place. On the basis of SXRD, the transition is from the triclinic (P1) structure to a monoclinic (P2/c) structure isotypic to wolframite. The transition implies abrupt changes of CuO6 and WO6 octahedra, but no coordination change. Further, we report the role played by the Jahn–Teller distortion of the CuO6 octahedra on the mechanism of the phase transition as well as the changes in the behavior of the Cu–O bonds for the tricl…
High pressure–high temperature phase diagram of InSe
2004
By combining X-ray diffraction and X-ray absorption spectroscopy, the structural evolution of the InSe alloy has been explored up to 3.3 GPa and 1500 K with the use of the Paris–Edinburgh large volume cell. These conditions allowed us to study the solid and the liquid states and to measure the pressure evolution of the melting point, which increases at a rate of +120 K GPa−1. A temperature‐induced phase transition has been evidenced within the solid phase. This is the first in-situ study of the high temperature solid phase which had so far only been inferred from studies on recovered samples at ambient conditions.
Cation Environment of BaCeO3−Based Protonic Conductors II: New Computational Models
2011
Quantum chemical calculations have been carried out to simulate Y-doped BaCeO(3) derivatives. Hartree-Fock energy functional was used to study octahedral site environments embedded in a Pmcn orthorhombic framework, showing local arrangement characterized by Ce-O-Ce, Ce-O-Y, and Y-O-Y (Z-O-Ξ) configurations and including or not hydrogen close to the moieties encompassing those configurations. The latter are, in fact, representative of - and, in our modeling approach, were treated as - local arrangements that could be found in Y:BaCeO(3)-doped materials. The geometrical optimizations performed on the structural models and a detailed orbital analysis of these systems allowed us to confirm and …
EXAFS Study of PressureInduced Phase Transition in SrWO4
2005
Pressure-induced scheelite-to-wolframite structural phase transition in SrWO4 was studied using two complementary techniques—x-ray absorption spectroscopy and x-ray diffraction (XRD). In situ XRD and W L3-edge EXAFS measurements were performed using the synchrotron radiation. The experiments were done at room temperature in the pressure range from 0 to 30 GPa using the diamond anvil cell. The XRD results unambiguously show that SrWO4 transforms from the tetragonal scheelite phase to the monoclinic wolframite-type phase at about 11.7 GPa. Locally this transition appears as a change of the tungsten ions coordination from regular tetrahedral to distorted octahedral. The analysis of the EXAFS d…
Probing the Thermochromic Phase Transition in CuMoO 4 by EXAFS Spectroscopy
2018
The work was supported by philanthropist MikroTik and administrated by the University of Latvia Foundation. The experiment at HASYLAB/DESY was performed within the project I-20160149 EC.
Low temperature X-ray absorption spectroscopy study of $CuMoO_{4}$ and $CuMo_{0.90}W_{0.10}O_4$ using reverse Monte-Carlo method
2020
Radiation physics and chemistry 175, 108411 (2020). doi:10.1016/j.radphyschem.2019.108411
Palladium local structure of La1-xSrxCo1-yFey-0.03Pd0.03O3-δperovskites synthesized using a one pot citrate method
2014
Nanostructured La1-xSrxCo1-yFey-0.03Pd0.03O3-δ(LSCF-Pd) perovskites with fixed La-Sr composition (x = 0.4) and two different Fe contents (y = 0.2 and 0.8) were successfully synthesized using a one pot citrate method starting from nitrates of the metal cations. Pd-free La1-xSrxCo1-yFeyO3-δ(LSCF) systems were prepared for comparison. LSCF powders were calcined at 1300 °C and characterized by XRD and Rietveld refinement, EXAFS, XPS, TPR analyses. Promotion of La0.6Sr0.4Co0.8Fe0.2O3-δand of La0.6Sr0.4Co0.2Fe0.8O3-δby incorporation of palladium was evidenced by solving the local environment of Pd using EXAFS spectroscopy. XPS analyses, in agreement with TPR measurements, demonstrated an inc…
Local structure aroundEr3+inSiO2−HfO2glassy waveguides using EXAFS
2007
${\mathrm{Er}}^{3+}$-doped $\mathrm{Si}{\mathrm{O}}_{2}\text{\ensuremath{-}}\mathrm{Hf}{\mathrm{O}}_{2}$ glassy waveguides with $\mathrm{Hf}{\mathrm{O}}_{2}$ concentrations ranging from $10\phantom{\rule{0.3em}{0ex}}\text{to}\phantom{\rule{0.3em}{0ex}}50\phantom{\rule{0.3em}{0ex}}\mathrm{mol}\phantom{\rule{0.2em}{0ex}}%$ were prepared using the sol-gel route and deposited on $v\text{\ensuremath{-}}\mathrm{Si}{\mathrm{O}}_{2}$ substrates using the dip-coating technique. The local environment around ${\mathrm{Er}}^{3+}$ ions was determined from Er ${L}_{3}$-edge extended x-ray-absorption fine-structure (EXAFS) measurements. The first coordination shell around ${\mathrm{Er}}^{3+}$ ions is comp…
Interpretation of unexpected behavior of infrared absorption spectra ofScF3beyond the quasiharmonic approximation
2016
Scandium fluoride (${\mathrm{ScF}}_{3}$), having cubic ${\mathrm{ReO}}_{3}$-type structure, has attracted much scientific attention due to its rather strong negative thermal expansion (NTE) in the broad temperature range from 10 to 1100 K. Here we use the results of diffraction and extended x-ray absorption fine-structure (EXAFS) spectroscopy to interpret the influence of NTE on the temperature dependence of infrared absorption spectra of ${\mathrm{ScF}}_{3}$. Original infrared absorption and EXAFS experiments in a large temperature range are presented and interpreted using ab initio lattice dynamics simulations within and beyond quasiharmonic approximations. We demonstrate that ab initio e…