Zobrazeno 1 - 10
of 18
pro vyhledávání: '"S A Guda"'
Autor:
S. V. Abrosimov, B. O. Protsenko, A. S. Mannaa, V. G. Vlasenko, S. A. Guda, I. A. Pankin, A. S. Burlov, Y. V. Koshchienko, A. A. Guda, A. V. Soldatov
Publikováno v:
Journal of Synchrotron Radiation, Vol 31, Iss 3, Pp 447-455 (2024)
Hard X-ray absorption spectroscopy is a valuable in situ probe for non-destructive diagnostics of metal sites. The low-energy interval of a spectrum (XANES) contains information about the metal oxidation state, ligand type, symmetry and distances in
Externí odkaz:
https://doaj.org/article/dc1bce4d2ded4be08c767d8b64cc13d1
Autor:
A. A. Guda, S. A. Guda, A. Martini, A. N. Kravtsova, A. Algasov, A. Bugaev, S. P. Kubrin, L. V. Guda, P. Šot, J. A. van Bokhoven, C. Copéret, A. V. Soldatov
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-13 (2021)
Abstract X-ray absorption near-edge structure (XANES) spectra are the fingerprint of the local atomic and electronic structures around the absorbing atom. However, the quantitative analysis of these spectra is not straightforward. Even with the most
Externí odkaz:
https://doaj.org/article/08b96f9931b64ca9a7c59fb2cb51b471
Publikováno v:
Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques. 16:901-908
Autor:
E. G. Kozyr, A. L. Bugaev, S. A. Guda, A. A. Guda, K. A. Lomachenko, K. Janssens, S. Smolders, Dirk De Vos, A. V. Soldatov
Publikováno v:
The Journal of Physical Chemistry C. 125:27844-27852
ispartof: JOURNAL OF PHYSICAL CHEMISTRY C vol:125 issue:50 pages:27844-27852 status: published
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal.
The bimetallic alloys often outperform their single-component counterparts due to synergistic effects. Being widely known, the Au–Pd alloy is a promising candidate for the novel heterogeneous nanocatalysts. Rational design of such systems requires
Publikováno v:
International Journal of Self-Propagating High-Temperature Synthesis. 30:15-21
Total energy ab-initio calculations for some SHS products were performed by DFT method using VASP program package. The results of calculations along with XRD results and crystallographic modeling were used to explain specific features of the composit
Publikováno v:
Physics of Metals and Metallography. 121:1188-1192
—The enthalpies of formation of γ- and δ-modifications of the TiCu phase were estimated using the density-functional method. The enthalpies of formation are –22 and –12.8 kJ/mol for the γ- and δ-TiCu, respectively. The comparison of X-ray d
Publikováno v:
Russian Journal of Physical Chemistry A. 94:1369-1374
The stability of the kappa phase of compounds Me3+xW10–xC3+y (Me = Fe, Co, Ni) is calculated using the density functional theory. Crystal structures with disordered positions are calculated using an additive approach. The crystal structure of the k
Publikováno v:
Inorganic Materials. 56:572-576
The composition and structure of a new compound, Ni3.35W9.65C4, have been determined by comparing X-ray powder diffraction, crystal-chemical modeling, and density functional quantum-chemical calculation (VASP program) results. The compound, in cast f
Publikováno v:
Russian Journal of General Chemistry. 89:2069-2074
The issues of the composition-structure relationship of boron carbide are discussed. A new hypothesis based on the presence of channels with a diameter of 2.7–2.9 A in crystals, into which C or B atoms can be intruded, has been proposed. The intrus