Magnetism and Electronic State of Iron Ions on the Surface and in the Core of TiO2 Nanoparticles
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Magnetism and Electronic State of Iron Ions on the Surface and in the Core of TiO2 Nanoparticles
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| Автор |
Yermakov, A. Y.
Uimin, M. A. Boukhvalov, D. W. Minin, A. S. Kleinerman, N. M. Naumov, S. P. Volegov, A. S. Starichenko, D. V. Borodin, K. I. Gaviko, V. S. Konev, S. F. Cherepanov, N. A. |
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| Тематика |
DENSITY FUNCTIONAL THEORY
ELECTRON PARAMAGNETIC RESONANCE FE DOPED NANOCRYSTALLINE TIO2 NUCLEAR GAMMA RESONANCE PARTICLE CORE SURFACE |
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| Описание |
In this paper, the electron and magnetic state of iron placed either on the surface or in the core of TiO2 nanoparticles were investigated using magnetometric methods, electron paramagnetic resonance (EPR) and Mössbauer spectroscopy. It was demonstrated that the EPR spectra of TiO2 samples with iron atoms localized both on the surface and in the core of specific features depending on the composition and size of the nanoparticles. Theoretical calculations using the density functional theory (DFT) method demonstrated that the localization of Fe atoms on the surface is characterized by a considerably larger set of atomic configurations as compared to that in the core of TiO2 nanoparticles. Mössbauer spectra of the samples doped with Fe atoms both on the surface and in the core can be described quite satisfactorily using two and three doublets with different quadrupole splitting, respectively. This probably demonstrates that the Fe atoms on particle surface and in the bulk are in different unlike local surroundings. All iron ions, both on the surface and in the core, were found to be in the Fe3+ high-spin state. © 2023 by the authors.
Ministry of Education and Science of the Russian Federation, Minobrnauka: 122021000034-9, 122021000036-3 The research was carried out within the state assignment of Ministry of Science and Higher Education of the Russian Federation (theme “Magnet” No. 122021000034-9) and theme “Spin” No. 122021000036-3). |
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| Дата |
2024-04-05T16:32:03Z
2024-04-05T16:32:03Z 2023 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) |info:eu-repo/semantics/publishedVersion |
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| Идентификатор |
Yermakov, AY, Uimin, MA, Boukhvalov, DW, Minin, AS, Kleinerman, NM, Naumov, SP, Volegov, AS, Starichenko, DV, Borodin, KI, Gaviko, VS, Konev, SF & Cherepanov, NA 2023, 'Magnetism and Electronic State of Iron Ions on the Surface and in the Core of TiO2 Nanoparticles', Magnetochemistry, Том. 9, № 8, 198. https://doi.org/10.3390/magnetochemistry9080198
Yermakov, A. Y., Uimin, M. A., Boukhvalov, D. W., Minin, A. S., Kleinerman, N. M., Naumov, S. P., Volegov, A. S., Starichenko, D. V., Borodin, K. I., Gaviko, V. S., Konev, S. F., & Cherepanov, N. A. (2023). Magnetism and Electronic State of Iron Ions on the Surface and in the Core of TiO2 Nanoparticles. Magnetochemistry, 9(8), [198]. https://doi.org/10.3390/magnetochemistry9080198 2312-7481 Final All Open Access, Gold https://www.scopus.com/inward/record.uri?eid=2-s2.0-85169082050&doi=10.3390%2fmagnetochemistry9080198&partnerID=40&md5=14041480a04401fbe561e04f239e4de0 https://www.mdpi.com/2312-7481/9/8/198/pdf?version=1691044963 http://elar.urfu.ru/handle/10995/130749 10.3390/magnetochemistry9080198 85169082050 001055631500001 |
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| Язык |
en
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| Права |
Open access (info:eu-repo/semantics/openAccess)
cc-by https://creativecommons.org/licenses/by/4.0/ |
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| Формат |
application/pdf
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| Издатель |
Multidisciplinary Digital Publishing Institute (MDPI)
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| Источник |
Magnetochemistry
Magnetochemistry |
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