Search results for "X-RAY ABSORPTION"
showing 10 items of 314 documents
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.
Ab initio molecular dynamics simulations of negative thermal expansion in ScF3: the effect of the supercell size
2020
The authors sincerely thank S. Ali, A. Kalinko, and F. Rocca for providing experimental EXAFS data, as well as M. Isupova, V. Kashcheyevs, and A. I. Popov for stimulating discussions. Financial support provided by project No. 1.1.1.2/VIAA/l/16/147 (1.1.1.2/16/I/001) under the activity “Post-doctoral research aid” realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged by D.B. A.K and J.P. would like to thank the support of the Latvian Council of Science project No. lzp-2018/2–0353.
Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa
2021
The authors acknowledge the ESRF program committee (Grenoble, France) for the opportunity to perform XAFS and XRD measurements. We are grateful to Prof. Dr Marek Tkacz from the Institute of Physical Chemistry, PAS Kasprzaka 44/52, 01-224 Warsaw, Poland, for high quality YH3 samples and to Dr. José A. Flores-Livas for a fruitful discussion. A.P.M. and A.A.I. acknowledge the Russian Foundation for the Basic Research (grant No 18-02-40001_mega) for financial support. J.P., A.K., and I.P. would like to thank the support of the Latvian Council of Science project No. lzp-2018/2-0353. ISSP UL acknowledge the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-20l 6-2017-TeamingPh…
Dopants and defects: local structure and dynamics in barium cerates and zirconates
2010
In this paper we present an overview of state-of-the-art EXAFS measurements and data analysis on Ba, Ce, Zr, Y, In and Gd local environments in Y:BaCeO3, In:BaCeO3, Gd:BaCeO3, Y:BaZrO3, and In:BaZrO3, at different temperatures, hydration degrees and doping levels. This approach allows to reach unprecedented insights on the peculiar role of the dopant, and its interactions with the other lattice defects. In particular, we evidence that each different dopant shows unique behavior, depending mainly on its electronic structure, and that the usual criterion of ionic radius matching is not useful to outline an effective doping strategy of proton-conducting perovskites. As what concerns the struct…
MOF-Mediated Synthesis of Supported Fe-Doped Pd Nanoparticles under Mild Conditions for Magnetically Recoverable Catalysis**
2020
Metal–organic framework (MOF)-driven synthesis is considered as a promising alternative for the development of new catalytic materials with well-designed active sites. This synthetic approach is used here to gradually transform a new bimetallic MOF, with Pd and Fe as the metal components, by the in situ generation of aniline under mild conditions. This methodology results in a compositionally homogeneous nanocomposite formed by Fe-doped Pd nanoparticles that, in turn, are supported on iron oxide-doped carbon. The nanocomposite has been fully characterized by several techniques such as IR and Raman spectroscopy, TEM, XPS, and XAS. The performance of this nanocomposite as an heterogeneous cat…
Evidence for a Double Doping Regime in Nd:YAG nanopowders
2009
Nanopowders of Yttrium Aluminium Garnet doped with neodymium (Nd:YAG) were investigated by X-Ray Absorption Fine Structure (XAFS) at the Nd LIII-edge in the 1.3 - 20.8 % doping range. XANES spectra appear similar in the full range of the Nd concentration. However, a significant decrease in the white line intensity of XANES is revealed as the quantity of Nd doping ions increases. Plotting the white line intensity as a function of Nd doping ions reveals two linear trends with two different slopes, identifying a threshold value where the neodymium concentration reaches 5 at.% This experimental finding provides support for the existence of a double doping regime in Nd:YAG nanopowders.
XAFS study of short range order in the heavily disordered MoxW1−wO3 oxides
1995
We have done comparative XAFS analysis on the MoK and WL 3 edges of polycrystalline Mo x W 1-x O 3 solid solutions. It was found that their structures are closely related to corner-shared WO 3 -type for x<0.9 while α-MoO 3 -type structure is present for x≥0.9. The obtained structural parameters for the first shell around metal ions allow to distinguish several structural phase transitions due to the change of composition. A set of subshells within the first shell was found, and they are in good agreement with Raman data
Probing the Size Effect of Co2FeGa-SiO2@C Nanocomposite Particles Prepared by a Chemical Approach
2010
In this contribution, we report the chemical synthesis of carbon coated, silica supported Co2FeGa (Co2FeGa-SiO2@C) nanocomposite particles. The particle size of Co2FeGa particles can be tuned by varying the amount of silica supports. The dependences of the crystal structure and magnetic properties on particle size have been investigated by synchrotron radiation based X-ray diffraction (XRD), X-ray absorption fine structure (XAFS) spectroscopy, transmission electron microscope (TEM), 57Fe Mossbauer spectroscopy, and superconducting quantum interference device (SQUID). The superparamagnetic critical size of Co2FeGa Heusler nanoparticles is found to be ∼17 nm by correlating the TEM derived par…
X-ray absorption and Raman spectroscopy studies of tungstates solid solutions ZncNi1-cWO4 (c=0.0-1.0)
2020
G.B. acknowledges the financial support provided by the State Education Development Agency for project No. 1.1.1.2/VIAA/3/19/444 (agreement No. 1.1.1.2/16/I/001) realized at the Institute of Solid State Physics, University of Latvia. A.K. and A.K. would like to thank the support of the Latvian Council of Science project No. lzp-2019/1-0071. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2.
High-temperature X-ray absorption spectroscopy study of thermochromic copper molybdate
2019
Financial support provided by Scientific Research Project for Students and Young Researchers Nr. SJZ/2017/5 and SJZ/2018/1 realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. The work was also supported by philanthropist MikroTik and administrated by the University of Latvia Foundation . The experiment at the Elettra synchrotron was performed within the project No. 20150303 .