Zobrazeno 1 - 10
of 86
pro vyhledávání: '"Alexander A. Kuzubov"'
Autor:
Anastasiia S. Kholtobina, Evgenia A. Kovaleva, Julia Melchakova, Sergey G. Ovchinnikov, Alexander A. Kuzubov
Publikováno v:
Nanomaterials, Vol 11, Iss 6, p 1412 (2021)
The atomic and electronic structure of vanadium phosphide one- to four-atomic-layer thin films and their composites with zinc oxide substrate are modelled by means of quantum chemistry. Favorable vanadium phosphide to ZnO orientation is defined and f
Externí odkaz:
https://doaj.org/article/a6aff66bfd594d5490ef5a6cae71764a
Autor:
Sergey A. Vorobyev, Oksana A. Kolenchukova, Darya I. Tsyplenkova, Alexander A. Kuzubov, Galina V. Novikova, Alexander S. Samoilo
Publikováno v:
Journal of Siberian Federal University. Chemistry. 14:290-301
The calcium complex of ceftriaxone was synthesized and characterized by elemental, atomic-emission analysis, TGA, IR spectroscopy and density functional theory calculations. The luminescence and antibacterial properties of the ceftriaxone disodium an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::47b387d63a9bc15e580286762f378835
https://doi.org/10.17516/1998-2836-0238
https://doi.org/10.17516/1998-2836-0238
Autor:
Pavel V. Avramov, Alexander A. Kuzubov, Olga N. Tchaikovskaya, Sergey Ovchinnikov, Kristina M. Nikolaeva, Felix N. Tomilin, Evgenia A. Kovaleva, Iuliia Melchakova
Publikováno v:
Applied surface science. 2021. Vol. 540. P. 148223 (1-9)
First-row transition metal (TM) atoms adsorption and migration on nanoporus 2D materials like bigraphene with double vacancies and g-C3N4 as the active sites for TM nanocluster’s growth was studied within the framework of density functional theory.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ddced1256343989e23e5931f63afcb8
https://vital.lib.tsu.ru/vital/access/manager/Repository/koha:000897061
https://vital.lib.tsu.ru/vital/access/manager/Repository/koha:000897061
Publikováno v:
The Journal of Physical Chemistry Letters. 9:1422-1428
Two-dimensional (2D) ferromagnets with high spin-polarization ratio and high Curie temperature are crucial for developing next-generation spintronic nanodevices. Using first-principles calculations, we predict two polymorphic modifications (t-VN and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aa6c712c779027059db91882d88c0c47
https://doi.org/10.1021/acs.jpclett.7b03276
https://doi.org/10.1021/acs.jpclett.7b03276
Autor:
Anastasia S. Kholtobina, Pavel B. Sorokin, Felix N. Tomilin, Artem V. Kuklin, Evgenia A. Kovaleva, Pavel V. Avramov, Alexander A. Kuzubov
Publikováno v:
Computational Materials Science. 139:125-131
Atomic and electronic structure of LSMO-based composites with carbon nanotubes were studied by means of density functional theory with respect to the termination of LSMO surface. The deformation of the tubes caused by the lattice mismatch with the su
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8f293758cc8c188c35cd116d989cb54c
https://doi.org/10.1016/j.commatsci.2017.07.021
https://doi.org/10.1016/j.commatsci.2017.07.021
Autor:
M.I. Popova, Anastasia S. Kholtobina, N.S. Mikhaleva, Alexander A. Kuzubov, M.A. Visotin, Evgenia A. Kovaleva, Alexander S. Fedorov
Publikováno v:
Journal of Magnetism and Magnetic Materials. 440:93-96
Using DFT GGA calculations, electronic structure and magnetic properties of wide family of transition metal trihalides (TMHal 3 ) (Zr, Ti and Nb iodides, Mo, Ru, Ti and Zr bromides and Ti or Zr chlorides) are investigated. These structures consist of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4bf5f199d30fdf92daa85b63c7b9bb6c
https://doi.org/10.1016/j.jmmm.2016.12.054
https://doi.org/10.1016/j.jmmm.2016.12.054
Publikováno v:
Journal of Magnetism and Magnetic Materials. 440:167-170
A new universal method is developed for determination of nanostructure kinetic stability (KS) at high temperatures, when nanostructures can be destroyed by chemical bonds breaking due to atom thermal vibrations. The method is based on calculation of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3cf423844ebb977db77236fccf61722f
https://doi.org/10.1016/j.jmmm.2016.12.131
https://doi.org/10.1016/j.jmmm.2016.12.131
Autor:
Hyosun Lee, Alexander A. Kuzubov, Shiro Entani, Hiroshi Naramoto, Paul Avramov, Evgenia A. Kovaleva, Seiji Sakai, Artem V. Kuklin, Pavel B. Sorokin
Publikováno v:
Journal of Magnetism and Magnetic Materials. 440:23-29
Induced spin polarization of π-conjugated carbon and h-BN low dimensional fragments at the interfaces formed by deposition of pentacene molecule and narrow zigzag graphene and h-BN nanoribbons on MnO2-terminated LSMO(001) thin film was studied using
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6d3bbb5fc315f100f2c28cf3876fa607
https://doi.org/10.1016/j.jmmm.2016.12.096
https://doi.org/10.1016/j.jmmm.2016.12.096
Autor:
Alexander A. Kuzubov, E. S. Vikulova, Natalya B. Morozova, Tamara V. Basova, Evgenia A. Kovaleva
Publikováno v:
Journal of Molecular Structure. 1146:677-683
The mechanism of thermal destruction of Ir(acac)(CO)2 as one of the most important MOCVD precursors for Ir coatings deposition was proposed on the footing of the in situ mass spectrometry analysis and quantum chemical modeling. Calculated structural
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::003891b8b10f8a09b0e47d26ffc31d27
https://doi.org/10.1016/j.molstruc.2017.06.059
https://doi.org/10.1016/j.molstruc.2017.06.059
Autor:
Alexander S. Fedorov, Alexander A. Kuzubov, Hua-Shu Hsu, M.A. Visotin, N.S. Mikhaleva, Anastasia S. Kholtobina
Publikováno v:
Journal of Magnetism and Magnetic Materials. 440:5-9
Theoretical and experimental investigations of the ferromagnetism induced by intrinsic defects inside wurtzite zinc oxide structures are performed using magnetic field-dependent circular dichroism (MCD-H), direct magnetization measurement (M-H) by su
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8b3004b9d87d9c3940b04bebd9e1a6a2
https://doi.org/10.1016/j.jmmm.2016.12.130
https://doi.org/10.1016/j.jmmm.2016.12.130