Journal ArticleDOI
Development of methods of EXAFS spectroscopy on synchrotron radiation beams: Review
V. L. Aksenov,V. L. Aksenov,M. V. Kovalchuk,M. V. Kovalchuk,A. Yu. Kuz'min,Yu. Ya. Purans,S. I. Tyutyunnikov +6 more
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TLDR
The theoretical fundamentals of extended X-ray absorption fine-structure (EXAFS) spectroscopy are discussed in this paper, where experimental setups implementing EXAFS spectroscope on synchrotron radiation beams are considered and the requirements on monochromatization of radiation beam are given.Abstract:
The theoretical fundamentals of extended X-ray absorption fine-structure (EXAFS) spectroscopy are discussed. This method makes it possible to obtain short-range order parameters for multicomponent amorphous and quasicrystalline media with a high accuracy. Methods of analysis of EXAFS spectra with allowance for the effects of multiple scattering are described. Experimental setups implementing EXAFS spectroscopy on synchrotron radiation beams are considered and the requirements on monochromatization of radiation beams are given. A brief description of the energy-dispersive EXAFS spectrometer at the Kurchatov Synchrotron Radiation Source is given. The results of experimental investigations of tungsten and molybdenum oxides and fullerides are reported.read more
Citations
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Review of Pt-based bimetallic catalysis: from model surfaces to supported catalysts.
TL;DR: The chiral stationary phase for high-performance liquid chromatography showed good chiral recognition ability and the chiral phase showed good Raman recognition ability, which is important for future generations of racemates.
Journal ArticleDOI
Reactivity of Surface Species in Heterogeneous Catalysts Probed by In Situ X-ray Absorption Techniques
TL;DR: (Article begins on next page)
Journal ArticleDOI
EXAFS and XANES analysis of oxides at the nanoscale
Alexei Kuzmin,Jesús Chaboy +1 more
TL;DR: The limits and possibilities of X-ray absorption near-edge spectroscopy in determining several effects associated with the nanocrystalline nature of materials are discussed in connection with the development of ZnO-based dilute magnetic semiconductors and iron oxide nanoparticles.
Journal ArticleDOI
EXAFS study of hydrogen intercalation into ReO 3 using the evolutionary algorithm.
TL;DR: The proposed EA-EXAFS method is an extension of the conventional reverse Monte Carlo approach but is computationally more efficient and allows one to perform accurate analysis of EXAFS data from distant coordination shells, taking into account both multiple-scattering and disorder (thermal and static) effects.
Journal ArticleDOI
Quantitative structural determination of active sites from in situ and operando XANES spectra: From standard ab initio simulations to chemometric and machine learning approaches
Alexander A. Guda,Sergey A. Guda,Kirill A. Lomachenko,Mikhail A. Soldatov,I. A. Pankin,I. A. Pankin,Alexander V. Soldatov,Luca Braglia,Aram L. Bugaev,Andrea Martini,Andrea Martini,Matteo Signorile,Elena Groppo,Alessandro Piovano,Elisa Borfecchia,Carlo Lamberti,Carlo Lamberti +16 more
TL;DR: In this paper, the authors provide a selection of four examples where operando XANES technique has been able to provide capital information on the structure of the active site in catalysts of industrial relevance: (i) Phillips catalyst for ethylene polymerization reaction, (ii) TS-1 catalyst for selective hydrogenation reactions; (iii) carbon supported Pd nanoparticles for hydrogenation reaction; (iv) Cu-CHA zeolite for NH3-assisted selective reduction of NOx and for partial oxidation of methane to methanol.
References
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Journal ArticleDOI
Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure
TL;DR: In this paper, a selfconsistent real-space multiple-scattering (RSMS) approach for calculations of x-ray-absorption near-edge structure (XANES) is presented and implemented in an ab initio code applicable to arbitrary aperiodic or periodic systems.
Journal ArticleDOI
Multiple-scattering calculations of x-ray-absorption spectra
TL;DR: A high-order multiple-scattering approach to the calculation of polarized x-ray-absorption spectra, which includes both x- Ray- absorption fine structure and x-Ray- absorption near-edge structure, is presented.
Journal ArticleDOI
X-ray circular-dichroism as a probe of orbital magnetization
B. T. Thole,B. T. Thole,B. T. Thole,P. Carra,P. Carra,P. Carra,Francesco Sette,Francesco Sette,Francesco Sette,G. van der Laan,G. van der Laan,G. van der Laan +11 more
TL;DR: A new magneto-optical sum rule is derived for circular magnetic dichroism in the x-ray region (CMXD) and applications are discussed to transition-metal and rare-earth magnetic systems.
Journal Article
X-ray absorption : principles, applications, techniques of EXAFS, SEXAFS, and XANES
TL;DR: Theory of X-ray Absorption Spectroscopy (EXAFS) is described in this paper, where the authors present an experimental setup of EXAFS with Synchrotron Radiation.