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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Visotin M. A., Lukyanenko A. V., Gerasimov V. S., Aleksandrovsky A. S.
Заглавие : Intense charge transfer plasmons in golden nanoparticle dimers connected by conductive molecular linkers
Колич.характеристики :7 с
Место публикации : J. Chem. Phys. - 2024. - Vol. 160, Is. 8. - Ст.084110. - ISSN 00219606 (ISSN), DOI 10.1063/5.0183334. - ISSN 10897690 (eISSN)
Примечания : Cited References: 52. - This study was supported by the Russian Science Foundation, Agreement No. 23-12-20007, and the Government of the Krasnoyarsk Territory and the Krasnoyarsk Territorial Foundation for Support of Scientific and R&D Activities, Agreement No. 256
Аннотация: Golden nanoparticle dimers connected by conjugated molecular linkers 1,2-bis(2-pyridyl)ethylene are produced. The formation of stable dimers with 22 nm diameter nanoparticles is confirmed by transmission electron microphotography. The possibility of charge transfer through the linkers between the particles in the dimers is shown by the density functional theory calculations. In addition to localized plasmon resonance of solitary nanoparticles with a wavelength of 530 nm, the optical spectra exhibit a new intense absorption peak in the near-infrared range with a wavelength of ∼780 nm. The emergent absorption peak is attributed to the charge-transfer plasmon (CTP) mode; the spectra simulated within the CTP developed model agree with the experimental ones. This resonant absorption may be of interest to biomedical applications due to its position in the so-called transmission window of biological tissues. The in vitro heating of CTP dimer solution by a laser diode with a wavelength of 792 nm proved the efficiency of CTP dimers for achieving a temperature increase of ΔT = 6 °C, which is sufficient for hyperthermia treatment of malignant tumors. This indicates the possibility of using hyperthermia to treat malignant tumors using the material we synthesized.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Visotin M. A., Sosedkin, Oleg A., Eremkin, Egor V.
Заглавие : MD investigations of of heat flow throw interfaces in 1D systems
Место публикации : J. Sib. Fed. Univ. Math. Phys. - 2023. - Vol. 16, Is. 3. - P.385-396. - ISSN 19971397 (ISSN); Журн. СФУ. Матем. и физ. - ISSN 23136022 (eISSN)
Примечания : Cited References: 26
Аннотация: Molecular dynamic calculations (MD) of heterogeneous 1D periodical systems are presented. It is proposed the new technique of direct calculations of thermal conductivity, where there is only one thermostat in one piece of unit cell as well as another piece where artificial friction forces act on atoms. With the help of this scheme, calculations of 1D heterogeneous systems having regions with atoms of different atomic masses are presented. It is shown that the difference in atomic masses in adjacent regions of the systems leads to a significant temperature jump at interfaces between these regions. This temperature jump exists independently of the mass ratio on both sides of the interface.The reasons for these jumps are discussed. It is also shown that, by changing the alternation of regions with different masses of atoms, it is possible to reduce the total thermal conductivity of the system by several times. On the base of these results, we can hope that for three-dimensional structures also, the thermal conductivity can be significantly reduced.Представлены молекулярно-динамические расчеты (МД) гетерогенных одномерных периодических систем. Предлагается новая методика прямых расчетов теплопроводности, при которой в одном элементе элементарной ячейки находится только один термостат, а в другом элементе действуют силы искусственного трения на атомы. С помощью этой схемы представлены расчеты одномерных гетерогенных систем, имеющих области с атомами разной атомной массы. Показано, что различие атомных масс в соседних областях систем приводит к значительному скачку температуры на границах раздела между этими областями. Этот скачок температуры существует независимо от отношения масс по обе стороны от границы раздела. Обсуждаются причины этих скачков. Также показано, что, изменяя чередование областей с разной массой атомов, можно в несколько раз уменьшить общую теплопроводность системы. На основании этих результатов можно надеяться, что и для трехмерных структур теплопроводность может быть значительно снижена.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Kuzmin V. I., Nikolaev S. V., Visotin M. A.
Заглавие : Temperature and doping dependent short range antifferomagnetic order and pseudogap formation in hole-doped cuprates
Коллективы : International Conference on Supercondactivity and Magnetism
Место публикации : 8th International conference on supercondactivity and magnetism (ICSM2023): abstract book. - 2023. - Ст.159. - P.248
Примечания : Cited References: 1
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Вид документа : Статья из сборника (однотомник)
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Автор(ы) : Tarasov I. A., Yakovlev I. A., Visotin M. A., Rautskii M. V., Tarasov A. S., Lyashchenko S. A., Maximova O. A., Varnakov S. N., Andryushchenko T. A., Ovchinnikov S. G.
Заглавие : New ternary magnetic films of MAX phases
Коллективы : Asian School-Conference on Physics and Technology of Nanostructured Materials, Азиатская школа-конференция по физике и технологии наноструктурированных материалов
Место публикации : The Sixth Asian school-conference on physics and technology of nanostructured materials: Proceedings. - VLadivostok, 2022. - Ст.Plenary 10. - P.23-24. - ISBN 987-5-8044-1716-2
Примечания : Cited References: 16
Аннотация: This article is devoted to the data analysis of magneto-optical ellipsometry data when they are collected from structures with uniaxial optical anisotropy. The magneto-optical parameter, being a part of an off-diagonal tensor elements of dielectric permit tivity, was deduced through Maxwell equations consideration. The way of carrying out an experiment is also dicsussed.
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Вид документа : Статья из журнала
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Автор(ы) : Erohin S. V., Churkin V. D., Vnukova N. G., Visotin M. A., Kovaleva E. A., Zhukov V. V., Antipina L. Yu., Tomashevich Ye. V., Mikhlin U. L., Popov M. Yu., Churilov G. N., Sorokin P. B., Fedorov A. S.
Заглавие : Insights into fullerene polymerization under the high pressure: The role of endohedral Sc dimer
Место публикации : Carbon. - 2022. - Vol. 189. - P.37-45. - ISSN 00086223 (ISSN), DOI 10.1016/j.carbon.2021.12.040
Примечания : Cited References: 39. - The authors gratefully acknowledge the financial support of RFBR (Project identifier:18-29-19080). The calculations were performed at supercomputer cluster provided by the Materials Modeling and Development Laboratory at NUST “MISIS” and Joint Supercomputer Center of the Russian Academy of Sciences. The authors thank the staff of the Information Technology Department of the Moscow Institute of Physics and Technology and express their gratitude to the Data Center Group for their help in making calculations. M.P. acknowledges the support of the Ministry of Science and Higher Education of the Russian Federation in the framework of the State Task (project code 0718-2020-0037) for Raman study, interpretation, and discussion of obtained results as well as Russian Science Foundation (project #20-12-00097) for investigation of fullerite mechanical properties. V.D.C. acknowledges the support of RFBR (Project identifier:20-32-90038)
Аннотация: In this work, through the technology of producing endohedral metallofullerene in macroscopic quantities, the process of pressure polymerization of Sc2C2@C82 and their mechanical properties have been investigated in detail using a set of experimental and theoretical methods. The crucial role of endohedral atoms is demonstrated by comparison with pristine fullerenes. It is shown that the embedding of Sc2C2 complex inside a fullerene significantly facilitates the polymerization process which finally leads to the highly rigid material at high pressures.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sorensen, Lasse K., Khrennikov, Daniil E., Gerasimov, Valeriy S., Ershov, Alexander E., Vysotin M. A., Monti, Susanna, Zakomirnyi, Vadim, I, Polyutov, Sergey P., Agren, Hans, Karpov S. V.
Заглавие : Thermal degradation of optical resonances in plasmonic nanoparticles
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [18-13-00363]; Carl Tryggers Stifetelse [CTS 18-441]; Swedish Research CouncilSwedish Research CouncilEuropean Commission [SNIC 2020/3-29]
Место публикации : Nanoscale. - 2022. - Vol. 14, Is. 2. - P.433-447. - ISSN 2040-3364, DOI 10.1039/d1nr06444d. - ISSN 2040-3372(eISSN)
Примечания : Cited References: 85. - The work is supported by the Russian Science Foundation (project No. 18-13-00363). L. K. S. acknowledges the support of Carl Tryggers Stifetelse, project CTS 18-441. The authors thank the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS" for the use of Hitachi S-5500 high-resolution scanning electron microscope for the analysis of nanomaterials. Some of the computations were enabled by resources provided by the Swedish National Infrastructure for Computing (SNIC) at the High Performance Computing Center North (HPC2N) partially funded by the Swedish Research Council through grant agree-ment no. SNIC 2020/3-29. Authors thank Anton Utyushev for technical assistance in preparation of Fig. 3
Предметные рубрики: STABILIZED GOLD NANOPARTICLES
DIPOLE INTERACTION-MODEL
Аннотация: The dependence of plasmon resonance excitations in ultrafine (3-7 nm) gold nanoparticles on heating and melting is investigated. An integrated approach is adopted, where molecular dynamics simulations of the spatial and temporal development of the atoms constituting the nanoparticles generate trajectories out of which system conformations are sampled and extracted for calculations of plasmonic excitation cross sections which then are averaged over the sample configurations for the final result. The calculations of the plasmonic excitations, which take into account the temperature- and size-dependent relaxation of the plasmons, are carried out with a newly developed Extended Discrete Interaction Model (Ex-DIM) and complemented by multilayered Mie theory. The integrated approach clearly demonstrates the conditions for suppression of the plasmons starting at temperatures well below the melting point. We have found a strong inhomogeneous dependence of the atom mobility in the particle crystal lattice increasing from the center to its surface upon the temperature growth. The plasmon resonance suppression is associated with an increase of the mobility and in the amplitude of phonon vibrations of the lattice atoms accompanied by electron-phonon scattering. This leads to an increase in the relaxation constant impeding the plasmon excitation as the major source of the suppression, while the direct contribution from the increase in the lattice constant and its chaotization at melting is found to be minor. Experimental verification of the suppression of surface plasmon resonance is demonstrated for gold nanoparticles on a quartz substrate heated up to the melting temperature and above.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Visotin M. A., Eremkin E. V., Krasnov P. O., Agren H., Polyutov S. P.
Заглавие : Charge-transfer plasmons of complex nanoparticle arrays connected by conductive molecular bridges
Место публикации : Phys. Chem. Chem. Phys. - 2022. - Vol. 24, Is. 32. - P.19531-19540. - ISSN 14639076 (ISSN), DOI 10.1039/d2cp01811j
Примечания : Cited References: 43. - The work is supported (ASF, EVE, POK, and SPP) by the Russian Science Foundation (project no. 18-13-00363)
Аннотация: Charge-transfer plasmons (CTP) in complexes of metal nanoparticles bridged by conductive molecular linkers are theoretically analysed using a statistic approach. The applied model takes into account the kinetic energy of carriers inside the linkers including its dissipation and the Coulomb energy of the charged nanoparticles. The plasmons are statistically investigated for systems containing a large number of complexes of bridged nanoparticles of realistic sizes generated using a simplified molecular dynamics algorithm, where the geometries of the complexes are dependent on the rate of connection of the linkers with the nanoparticles. As illustrated, the distribution of CTP frequencies in the generated nanoparticle complexes is very inhomogeneous. It has a narrow peak, corresponding to CTP plasmons in dimers, and two broad peaks, corresponding mainly to low and high-frequency oscillations in chains of connected nanoparticles. It is found that in general the plasmon frequencies depend inversely on the value of the complex dipole moment of the plasmon oscillation, where the assumption follows that low-frequency plasmons will be more efficiently excited in an external electromagnetic field. To calculate the CTP energy absorption in this field two model modifications are proposed: a system-external electromagnetic field interaction model and a simplified broadening plasmon peak model where the plasmons are calculated at first without damping and where the delta-shaped oscillation peaks are broadened then due to the damping. It is demonstrated that both modifications lead to a wide and almost monotonic absorption in the IR region for all generated systems containing a large number of bridged nanoparticles due to the presence of a large number of CTPs in this region.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhukov V. V., Erohin S. V., Churkin V. D., Vnukova N. G., Antipina L. Y., Elesina V. I., Visotin M. A., Tomashevich Y. V., Popov M. Y., Churilov G. N., Sorokin P. B., Fedorov A. S.
Заглавие : Feature of the endohedral metallofullerene Y@C82 and Gd@C82 polymerization under high pressure
Место публикации : J. Phys. Chem. C. - 2022. - Vol. 126, Is. 40. - P.17366-17373. - ISSN 19327447 (ISSN), DOI 10.1021/acs.jpcc.2c05139
Примечания : Cited References: 35. - The authors gratefully acknowledge the financial support of the RFBR (project identifier: 18-29-19080). V.D.C. acknowledges the support of the RFBR (project identifier: 20-32-90038). M.Y.P. acknowledges the support of the Ministry of Science and Higher Education of the Russian Federation in the framework of the State Task (project code 0718-2020-0037) for Raman study, interpretation, and discussion of obtained results and Russian Science Foundation (project #20-12-00097) for investigation of fullerite mechanical properties. V.V.Z., S.V.E., and P.B.S. acknowledge the support of the Ministry of Science and Higher Education of the Russian Federation in the framework of the strategic academic leadership program “Priority 2030” (no. K6-2022-041). The calculations were performed at the supercomputer cluster provided by the Materials Modeling and Development Laboratory at NUST “MISIS” and the Joint Supercomputer Center of the Russian Academy of Sciences. The authors thank the staff of the Information Technology Department of the Moscow Institute of Physics and Technology and express their gratitude to the Data Center Group for their help in performing calculations
Аннотация: In the present work, the polymerization of endohedral metallofullerenes (EMFs) with gadolinium (Gd@C82) and yttrium atoms (Y@C82) at high pressures achieved using the shear diamond anvil cell technique is studied using both theoretical and experimental approaches. It is found that in contrast to pure fullerenes, EMF polymerization starts at lower pressures with similar behavior for both metals inside the fullerene cage. EMF polymerization occurs smoothly and finally leads to a significant increase in the number of interfullerene bonds at pressures higher than ∼20 GPa. Finally, a high bulk modulus of both EMF-polymerized materials is obtained using Raman spectra.
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Вид документа : Статья из журнала
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Автор(ы) : Vysotin M. A., Tarasov I. A., Fedorov A. S., Varnakov S. N., Ovchinnikov S. G.
Заглавие : On the possible magnetic properties of ultrathin Mn2GaC films on Al2O3 substrates
Место публикации : JETP Letters. - 2022. - Vol. 116, Is. 5. - P.323-328. - ISSN 00213640 (ISSN), DOI 10.1134/S0021364022601488
Примечания : Cited References: 22. - This work was supported jointly by the Russian Foundation for Basic Research, Krasnoyarsk Territory Government, and Krasnoyarsk Regional Science Foundation (project no. 20-42-240012) and by the Ministry of Science and Higher Education of the Russian Federation (agreement no. 075-15-2019-1886, Project for Development of World-Class Laboratories)
Аннотация: The possibility of growth of thin Mn2GaC MAX phase films on Al2O3 substrates with various orientations and their magnetic properties have been studied. The most favorable orientation relationships and interface planes in the Mn2GaC//Al2O3 system, which indicate the possibility of growth on C-face (0001), S-face (011¯1¯), N‑face (112¯3¯), and R-face (01¯12¯) sapphire substrates, have been predicted within a geometric approach. Using the electron density functional method, the possible magnetic properties of continuous ultrathin Mn2GaC films have been calculated under the condition of conservation of uniform expansions/compressions of the MAX phase lattice, which are induced by growth on the predicted substrates. The effect of the deformation of the Mn2GaC lattice on magnetic ordering and magnetic moments has been determined, and the possibility of a transition from an antiferromagnetic to a ferromagnetic state under the action of external magnetic fields has been evaluated. It has been shown that the growth of the ferromagnetic film of the Mn2GaC MAX phase is the most probable on the Al2O3 (0001), Al2O3(112¯3¯), and Al2O3(01¯12¯) substrates.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Высотин, Максим Александрович, Тарасов, Иван Анатольевич, Федоров, Александр Семенович, Варнаков, Сергей Николаевич, Овчинников, Сергей Геннадьевич
Заглавие : О возможных магнитных свойствах ультратонких пленок Mn2GaC на подложках Al2O3
Место публикации : Письма в ЖЭТФ. - 2022. - Т. 116, Вып. 5. - С. 318-323. - ISSN 0370-274X, DOI 10.31857/S1234567822170098
Примечания : Библиогр.: 22. - Исследования выполняются при финансовой поддержке Российского фонда фундаментальных исследований, Правительства Красноярского края, Красноярского краевого фонда науки в рамках научного проекта # 20-42-240012, Правительства РФ в рамках гранта по созданию лабораторий мирового уровня (соглашение # 075-15-2019-1886)
Аннотация: Рассматривается вопрос о возможности роста и магнитных свойствах тонких пленок MAX-фазы Mn2GaC на подложках Al2O3 различной ориентации. В рамках геометрического подхода спрогнозированы наиболее предпочтительные ориентационные соотношения и интерфейсные плоскости в системе Mn2GaC//Al2 O3, указывающие на возможность роста на подложках сапфира С-срез (0001), S-срез(01¯1¯1), N-срез (11¯2¯3), и R-срез (0¯11¯2). С помощью метода функционала электронной плотности рассчитаны возможные магнитные свойства сплошных ультратонких пленок Mn2GaC при условии сохранения однородных растяжений/сжатий решетки MAX-фазы,вызванных ростом на предсказанных подложках: определено влияние деформации решетки Mn2GaC на магнитное упорядочение и величины магнитных моментов, оценена возможность перехода из антиферромагнитного состояния в ферромагнитное под действием внешних магнитных полей. Показано, что рост ферромагнитной пленки MAX-фазы Mn2GaC наиболее вероятен на подложках Al2O3(0001), Al2O3(11¯2¯3) и Al2O3(0¯112¯).
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