A5078713692- X-ray Diffraction in Crystallography
- X-ray Spectroscopy and Fluorescence Analysis
- Metal-Organic Frameworks: Synthesis and Applications
- Advanced Chemical Physics Studies
- Catalytic Processes in Materials Science
- Electron and X-Ray Spectroscopy Techniques
- Machine Learning in Materials Science
- ZnO doping and properties
- Catalysis and Oxidation Reactions
- Magnetic and transport properties of perovskites and related materials
- High-pressure geophysics and materials
- Chalcogenide Semiconductor Thin Films
- Crystallization and Solubility Studies
- Advancements in Battery Materials
- Ferroelectric and Piezoelectric Materials
- nanoparticles nucleation surface interactions
- Multiferroics and related materials
- Nanoparticle-Based Drug Delivery
- Radioactive element chemistry and processing
- Quantum Dots Synthesis And Properties
- Lanthanide and Transition Metal Complexes
- Magnetism in coordination complexes
- Copper-based nanomaterials and applications
- Boron and Carbon Nanomaterials Research
- Metal complexes synthesis and properties
Southern Federal University
2016-2025
Skolkovo Institute of Science and Technology
2024
Smart Material (Germany)
2019-2023
Russian Academy of Sciences
2005-2021
Samsung (Russia)
2020
Ioffe Institute
2018-2020
Southern Scientific Center
2020
Herzen University
2019
All-Russian Scientific Research Institute of Technical Physics
2000-2018
Medizinische Hochschule Hannover
2018
Cu-SSZ-13 is a highly active NH3-SCR catalyst for the abatement of harmful nitrogen oxides (NO x , = 1, 2) from exhausts lean-burn engines. The study Cu-speciation occurring upon thermal dehydration key step understanding enhanced catalytic properties this material and identifying SCR sites their redox capability. Herein, we combined FTIR, X-ray absorption (XAS) emission (XES) spectroscopies with DFT computational analysis to elucidate nature location most abundant Cu in activated catalyst....
In the typical NH3-SCR temperature range (100-500 °C), ammonia is one of main adsorbed species on acidic sites Cu-SSZ-13 catalyst. Therefore, study at high a key step for understanding its role in catalytic cycle. We employed different spectroscopic techniques to investigate nature complexes occurring upon NH3 interaction. particular, FTIR spectroscopy revealed formation species, that is, (i) bonded copper centers, (ii) Brønsted sites, and (iii) NH4(+)·nNH3 associations. XANES XES allowed us...
Accurate modeling of the X-ray absorption near-edge spectra (XANES) is required to unravel local structure metal sites in complex systems and their structural changes upon chemical or light stimuli. Two relevant examples are reported here concerning following: (i) effect molecular adsorption on 3d metals hosted inside metal-organic frameworks (ii) induced dynamics spin crossover complexes. In both cases, amount models for simulation can reach a hundred, depending number parameters. Thus,...
In this study, silver/silver oxide nanoparticles (Ag/Ag2O NPs) were successfully biosynthesized using Phoenix dactylifera L. aqueous leaves extract. The effect of different plant extract/precursor contractions (volume ratio, v/v%) on Ag/Ag2O NP formation, their optical properties, and photocatalytic activity towards azo dye degradation, i.e., Congo red (CR) methylene blue (MB), investigated. X-ray diffraction confirmed the crystalline nature NPs with a crystallite size range from 28 to 39...
Here we report the interpretation of all spectral features Ce ${\mathit{L}}_{3}$ x-ray-absorption near-edge structure (XANES) ${\mathrm{CeO}}_{2}$ over a 40 eV range. The local partial unoccupied density states in initial state and fully relaxed final have been calculated by full multiple-scattering approach. wave function excited electron ${\mathit{L}}_{3}$-edge XANES spectrum is found to be determined processes large size cluster formed at least 45 atoms. We predict, good agreement with...
We discuss a spectroscopic method to determine the character of chemical bonding and for identification metal ligands in coordination bioinorganic chemistry. It is based on analysis satellite lines X-ray emission spectra that arise from transitions between valence orbitals ion 1s level (valence-to-core XES). The spectra, connection with calculations density functional theory (DFT), provide information complementary other techniques, particular absorption (XANES EXAFS). spectral shape...
Abstract X-ray absorption near-edge structure (XANES) spectra are the fingerprint of local atomic and electronic structures around absorbing atom. However, quantitative analysis these is not straightforward. Even with most recent advances in this area, for a given spectrum, it clear priori which structural parameters can be refined how uncertainties should estimated. Here, we present an alternative concept XANES spectra, based on machine learning algorithms establishes relationship between...
X-ray transient absorption spectroscopy (X-TAS) has been used to study the light-induced hydrogen evolution reaction catalyzed by a tetradentate macrocyclic cobalt complex with formula [LCo(III)Cl2](+) (L = ligand), [Ru(bpy)3](2+) photosensitizer, and an equimolar mixture of sodium ascorbate/ascorbic acid electron donor in pure water. near edge structure (XANES) extended fine (EXAFS) analysis binary octahedral Co(III) precatalyst after illumination revealed situ formation Co(II) intermediate...
Hydride formation in palladium nanoparticles was studied by Pd K-edge X-ray absorption spectroscopy both the near-edge (XANES) and extended (EXAFS) regions diffraction (XRD) situ as a function of temperature hydrogen pressure. In contrast to EXAFS XRD, which probe Pd–Pd interatomic distance changes, direct effect concentration on electronic structure is observed intensities peak positions XANES region. By using theoretical simulations, we propose simple analysis based changes relative...
We report an in situ, temperature and H2 pressure-dependent, characterization of (2.6 ± 0.4) nm palladium nanoparticles supported on active carbon during the process hydride phase formation. For first time core–shell structure is highlighted single-component particles basis a different atomic electronic configurations inner "core" surface "shell" regions. The these examined by combined X-ray powder diffraction (XRPD), which sensitive to crystalline core region nanoparticles, shell analysis...
The presence of a core/shell behavior in Pd nanoparticles (NPs) during the formation metal-hydride phase has recently been highlighted combining X-ray absorption and scattering experiments [J. Phys. Chem. C 2017, 121, 18202]. In this work, we focus on carbide bulk region surface supported palladium NPs because it affects catalytic activity selectivity hydrogenation reactions. We present situ spectroscopy study decomposition 2.6 nm carbon exposure to acetylene, hydrogen, their mixtures at 100...
A zirconium metal–organic framework with UiO-66 topology was synthesized using a 1,4-naphthalenedicarboxylic acid (NDC) linker (UiO-66-NDC). From synchrotron powder X-ray diffraction (PXRD), we found that the naphthalene rings of NDC are out (a,c)-plane equilibrium by 30°, similar to situation single crystal XRD for benzene in UiO-67 (Cryst. Growth Des. 2014, 14, 5370). Different fractions benzene-carboxylic (BC) modulator versus were used tune structural properties final product. The...