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Вид документа : Однотомное издание
Шифр издания : В35/В 93 рукописный текст
Автор(ы) : Высотин, Максим Александрович
Заглавие : Моделирование структуры и свойств соединений кремния с железом, марганцем и литием : специальность 1.3.8 "Физика конденсированного состояния" : диссертация на соискание ученой степени канд. физ.-мат. наук
Выходные данные : Красноярск, 2021
Колич.характеристики :124 с
Коллективы : Федеральный исследовательский центр "Красноярский научный центр Сибирского отделения Российской академии наук", Институт физики им. Л.В. Киренского Сибирского отделения РАН
Примечания : Библиогр. : 168
ГРНТИ : 29.19.22
ББК : В353.2-233я031
Экземпляры :ДС(1)
Свободны : ДС(1)
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Вид документа : Однотомное издание
Шифр издания :
Автор(ы) : Высотин, Максим Александрович
Заглавие : Моделирование структуры и свойств соединений кремния с железом, марганцем и литием : специальность 1.3.8 "Физика конденсированного состояния" : автореферат диссертации на соискание ученой степени канд. физ.-мат. наук
Выходные данные : Красноярск, 2021
Колич.характеристики :24 с
Коллективы : Федеральный исследовательский центр "Красноярский научный центр Сибирского отделения Российской академии наук", Институт физики им. Л.В. Киренского Сибирского отделения РАН, Национальный исследовательский технологический университет "МИСиС"
Примечания : Библиогр.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Visotin M. A., Tarasov I. A.
Заглавие : Approach for prediction of orientation relationships and interface structures and its application to α-, β-, γ-FeSi2 and Si
Коллективы : Nanostructures: Physics and Technology, International Symposium, Институт физики им. Б. И. Степанова НАН Беларуси, Санкт-Петербургский национальный исследовательский Академический университет Российской академии наук, Физико-технический институт им. А.Ф. Иоффе РАН, Научно-технологический центр микроэлектроники и субмикронных гетероструктур Российской академии наук
Место публикации : Nanostructures: Physics and Technology, International Symposium (28 ; 2020 ; 28 Sept.-2 Oct. ; Minsk, Belarus). Nanostructures: physics and technology: proc. 28th Int. symp. - 2020. - Ст.NC.13. - P.152-153. - ISBN 978-5-93634-066-6
Примечания : Cited References: 13
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Nazarova Z. I., Nazarov A., Tarasov I. A., Visotin M. A., Varnakov S. N., Ovchinnikov S. G.
Заглавие : Prediction of formation of competing phases during the growth of (Mn1-xCrx)2GaC thin films on MgO(111) with the use of effective heat of formation model and near coincidence site lattice approaches
Коллективы : International workshop on functional MAX-materials, Kirensky Institute of Physics
Место публикации : International workshop on functional MAX-materials (1st FunMax). - 2020. - P.19
Примечания : Cited references: 6. - The study was carried out with the financial support of the Government of the Russian Federation within the framework of a grant for the creation of world-class laboratories (Agreement No. 075-15-2019-1886)
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Tarasov I. A., Visotin M. A., Varnakov S. N., Ovchinnikov S. G., Farle M.
Заглавие : Growth of α-FeSi2 nanocrystals on silicon surface: the impact of gold and the Si/Fe flux ratio, the origin and the prediction of α/Si orientation relationships and interface structures
Коллективы : International workshop on functional MAX-materials, Kirensky Institute of Physics
Место публикации : International workshop on functional MAX-materials (1st FunMax). - 2020. - P.11
Примечания : Cited references: 2. - The study was carried out with the financial support of the Government of the Russian Federation within the framework of a grant for the creation of world-class laboratories (Agreement No. 075-15-2019-1886)
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Kovaleva E. A., Sokolov A. Е., Visotin M. A., Lin C. R., Ovchinnikov S. G.
Заглавие : Trimetallic magnetite-Ti-Au nanoparticle formation: A theoretical approach
Место публикации : Mater. Chem. Phys. - 2021. - Vol. 271. - Ст.124847. - ISSN 02540584 (ISSN), DOI 10.1016/j.matchemphys.2021.124847
Примечания : Cited References: 46. - The reported study was funded by Joint Research Project of Russian Foundation for Basic Research # 19-52-52002 and Ministry of Science and Technology, Taiwan MOST # 109-2112-M-153-003 and # 108-2923-M-153-001-MY3
Аннотация: Geometric, electronic and magnetic structure of planar slabs consisting of magnetite Fe3O4, titanium and gold layers are investigated by DFT-GGA calculations. It is assumed that these slabs can be used to simulate the upper layers of magnetite nanoparticles covered with an intermediate layer of titanium and a gold layer on the surface. Specific energies and spreading parameters (wettability) of the magnetite-gold, magnetite-titanium and titanium-gold interfaces are calculated. The specific energy and spreading parameter of the magnetite-gold interface is found to be negative, while these values of the magnetite-titanium (for thin Ti layer) and magnetite-titan-gold interfaces are significantly positive. This allows us to hope that the intermediate thin layer of titanium at the boundary between the surface of the magnetite nanoparticle and the gold layer stabilizes this three-layer structure and allows obtaining magnetite nanoparticles covered with continuous gold coating.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Maximova O. A., Lyashchenko S. A., Vysotin M. A., Ovchinnikov S. G.
Заглавие : Theoretical and experimental study of magnetic nanostructures by means of in situ magneto-optical ellipsometry
Коллективы : "Нанофизика и наноэлектроника", международный симпозиум, Научный совет РАН по физике конденсированных сред, Научный совет РАН по физике полупроводников, Институт физики микроструктур РАН, Нижегородский государственный университет им. Н.И. Лобачевского
Место публикации : "Нанофизика и наноэлектроника", международный симпозиум (25 ; 2021 ; 9–12 марта ; Нижний Новгород). Труды XXV Международного симпозиума "Нанофизика и наноэлектроника": в 2-х т. - Нижний Новгород, 2021. - Т. 1, Секция: Магнитные наноструктуры. - P.122-123
Примечания : Библиогр.: 12
Аннотация: The magneto-optical ellipsometry technique has been used to analyse physical properties of magnetic layered nanostructures of different thickness. Special algorithms for data processing had to be developed. As a result, the dependences of dielectric permittivity on the energy of incident radiation and the thickness of the ferromagnetic layer were obtained and shown in 3D graphs.
,
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Visotin M. A., Gerasimov V. S., Polyutov S. P., Avramov P. A.
Заглавие : Charge transfer plasmons in the arrays of nanoparticles connected by conductive linkers
Место публикации : J. Chem. Phys. - 2021. - Vol. 154, Is. 8. - Ст.012009. - ISSN 00219606 (ISSN), DOI 10.1063/5.0040128
Примечания : Cited References: 41. - This study was supported by the Russian Science Foundation, Project No. 18-13-00363
Аннотация: Charge transfer plasmons (CTPs) that occur in different topology and dimensionality arrays of metallic nanoparticles (NPs) linked by narrow molecular bridges are studied. The occurrence of CTPs in such arrays is related to the ballistic motion of electrons in thin linkers with the conductivity that is purely imaginary, in contrast to the case of conventional CTPs, where metallic NPs are linked by thick bridges with the real optical conductivity caused by carrier scattering. An original hybrid model for describing the CTPs with such linkers has been further developed. For different NP arrays, either a general analytical expression or a numerical solution has been obtained for the CTP frequencies. It has been shown that the CTP frequencies lie in the IR spectral range and depend on both the linker conductivity and the system geometry. It is found that the electron currents of plasmon oscillations correspond to minor charge displacements of only few electrons. It has been established that the interaction of the CTPs with an external electromagnetic field strongly depends on the symmetry of the electron currents in the linkers, which, in turn, are fully governed by the symmetry of the investigated system. The extended model and the analytical expressions for the CTPs frequencies have been compared with the conventional finite difference time domain simulations. It is argued that applications of this novel type of plasmon may have wide ramifications in the area of chemical sensing.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Nazarova Z. I., Nazarov A., Tarasov I. A., Visotin M. A., Varnakov S. N., Ovchinnikov S. G.
Заглавие : Prediction of formation of competing phases during the growth of (Mn1-xCrx)2GaC thin films on MgO(111) with the use of effective heat of formation model and near coincidence site lattice approaches
Коллективы : International Online Workshop on the properties of Functional MAX-materials, Kirensky Institute of Physics, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Место публикации : 1st FunMAX Workshop 2020: Book of Abstracts/ , Ин-т физики им. Л.В. Киренского. - 2020. - P19
Примечания : Cited References: 2. - The study was carried out with the financial support of the Government of the Russian Federation within the framework of a grant for the creation of world-class laboratories (Agreement No. 075-15-2019-1886).
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Orlov Yu. S., Sokolov A. Е., Dudnikov V. A., Shulga K. V., Volochaev M. N., Zharkov S. M., Shestakov N. P., Vysotin M. A., Ovchinnikov S. G.
Заглавие : Contribution of the multiplicity fluctuation in the temperature dependence of phonon spectra of rare-earth cobaltites
Место публикации : Molecules. - 2020. - Vol. 25, Is. 18. - Ст.4316. - ISSN 14203049 (ISSN), DOI 10.3390/molecules25184316
Примечания : Cited References: 34. - This work was supported by the Russian Science Foundation grant 18-02-00022. The scanning electron microscopy investigations were conducted in the SFU Joint Scientific Center, supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation. The other research was carried out at the Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center “Krasnoyarsk Science Center SB RAS”
Аннотация: We have studied, both experimentally and theoretically, the unusual temperature dependence of the phonon spectra in NdCoO3, SmCoO3 and GdCoO3, where the Co3+ ion is in the low-spin (LS) ground state, and at the finite temperature, the high-spin (HS) term has a nonzero concentration nHS due to multiplicity fluctuations. We measured the absorption spectra in polycrystalline and nanostructured samples in the temperature range 3–550 K and found a quite strong breathing mode softening that cannot be explained by standard lattice anharmonicity. We showed that the anharmonicity in the electron–phonon interaction is responsible for this red shift proportional to the nHS concentration.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Krasnov, Pavel O., Visotin M. A., Tomilin F. N., Polyutov, Sergey P.
Заглавие : Thermoelectric and Plasmonic Properties of Metal Nanoparticles Linked by Conductive Molecular Bridges
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [16-13-00060]; Ministry of Science and High Education of the Russian Federation; FSRZ-2020-0008 (plasmonic properties)
Место публикации : Phys. Status Solidi B. - 2020. - Vol. 257, Is. 12. - Ст.2000249. - ISSN 0370-1972, DOI 10.1002/pssb.202000249. - ISSN 1521-3951(eISSN)
Примечания : Cited References: 53. - This study was supported by the Russian Science Foundation, project no. 16-13-00060 (thermoelectric properties), and by the Ministry of Science and High Education of the Russian Federation, project no. FSRZ-2020-0008 (plasmonic properties)
Предметные рубрики: POLYMERS
ARRAYS
RANGE
Аннотация: Thermoelectric and plasmonic properties of systems comprising small golden nanoparticles (NPs) linked by narrow conductive polymer bridges are studied using the original hybrid quantum-classical model. The bridges are considered here to be either conjugated polyacetylene, polypyrrole, or polythiophene chain molecules terminated by thiol groups. The parameters required for the model are obtained using density functional theory and density functional tight-binding simulations. Charge-transfer plasmons in the considered dumbbell structures are found to possess frequency in the infrared region for all considered molecular linkers. The appearance of plasmon vibrations and the existence of charge flow through the conductive molecule, with manifestation of quantum properties, are confirmed using frequency-dependent polarizability calculations implemented in the coupled perturbed Kohn-Sham method. To study the thermoelectric properties of the 1D periodical systems, a universal equation for the Seebeck coefficient is derived. The phonon part of the thermal conductivity for the periodical -NP-S-C8H8- system is calculated by the classical molecular dynamics. The thermoelectric figure of meritZTis calculated by considering the electrical quantum conductivity of the systems in the ballistic regime. It is shown that forAu309nanoparticles connected by polyacetylene, polypyrrole, or polythiophene chains atT = 300 K, the ZTvalue is {0.08;0.45;0.40}, respectively.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Chepkasov I. V., Baidyshev V. S., Sukhanova E. V., Visotin M. A., Sule P., Popov Z. I.
Заглавие : Iron silicides formation on Si (100) and (111) surfaces through theoretical modeling of sputtering and annealing
Место публикации : Appl. Surf. Sci. - 2020. - Vol. 527. - Ст.146736. - ISSN 01694332 (ISSN), DOI 10.1016/j.apsusc.2020.146736
Примечания : Cited References: 67. - We thank Dr. Ivan Tarasov for fruitful discussions. The research is carried out using the equipment of the shared research facilities of HPC computing resources at Lomonosov Moscow State University and resources of the Center for the Information and Computing of Novosibirsk State University. The molecular dynamics study of sputtering and annealing iron silicides was supported by the Russian Science Foundation, project no. 16-13-00060-П. All quantum-chemical calculations were supported by Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST “MISiS” (No. K2-2020-009)
Аннотация: The iron silicides formation during epitaxial film grown process on the (100) and (111) silicon surfaces were investigated using molecular dynamics (MD). The iron and silicon atom deposition rate and silicon substrate temperature influence on the formed iron silicide structure and stoichiometric composition were studied in detail. During the growth of iron silicide crystal structure significant diffusion of the substrate atoms into the forming BCC core occurs, this intensifies with the substrate temperature increase, and the ratio of substrate atoms inside the Fe3Si phase reaches nearly 12%. The BCC structure formation is less active on the (100) surface, and at the temperatures as low as 26 °C and 300 °C the iron silicide crystal phase does not form at all. However, with the temperature increase or the deposition rate decrease, the crystal structure formation processes occur more actively in both cases of (100) and (111) surfaces. Thus, the effect of the deposition rate decrease is identical to the temperature growth. It was shown that the formation of the structured B2 phase of iron silicide in buffer layer between the film and the substrate leads to the inhibition of the mutual diffusion of iron and silicon atoms.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sukhanova, Ekaterina, V, Visotin M. A., Popov, Zakhar, I, Sorokin, Pavel B.
Заглавие : Stability and gas sensing properties of Ta2X3M8(X = Pd, Pt; M = S, Se) nanoribbons: a first-principles investigation
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [17-72-20223]; RFBRRussian Foundation for Basic Research (RFBR) [17-33-50125 mol_nr]; Ministry of Education and Science of the Russian Federation of the NUST "MISiS" [K2-2019-016]
Место публикации : Phys. Chem. Chem. Phys. - 2020. - Vol. 22, Is. 26. - P.14651-14659. - ISSN 1463-9076, DOI 10.1039/d0cp01545h. - ISSN 1463-9084(eISSN)
Примечания : Cited References: 48. - We thank A. Khabibrakhmanov for comments that greatly improved themanuscript. The investigation of the TPS nanoribbon stability was supported by the Russian Science Foundation (Project identifier: 17-72-20223). The sensing properties of the nanoribbons were investigated with the financial support of the RFBR (17-33-50125 mol_nr) and Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST "MISiS" (No. K2-2019-016). The authors are grateful to the supercomputer cluster NUST "MISiS'' provided by Materials Modeling and Development Laboratory and to the Joint Supercomputer Center of the Russian Academy of Sciences
Предметные рубрики: TOTAL-ENERGY CALCULATIONS
STRUCTURAL EQUATION
FABRICATION
NANOWIRES
Аннотация: One dimensional Ta2(Pd/Pt)3(S/Se)8 nanoribbons (TPS-NR) are considered as a promising material in nanoelectronics due to their intrinsic semiconducting electronic properties. In this article, we study the stability of TPS-NR by considering their oxidation process. Our calculations showed that the Ta2(Pd/Pt)3Se8 nanoribbons are more environmentally stable than Ta2(Pd/Pt)3S8-NR. We studied the thermodynamics of the formation of monovacancies and their impact on the electronic properties of TPS-NR. Additionally, the sensing properties of environmentally stable Ta2Pd3Se8 nanoribbons were investigated. The observed changes of the electronic structure and transport properties after the adsorption of CO, NH3 and NO2 molecules reveal the mechanisms of possible application of Ta2Pd3Se8 nanoribbons as a gas sensor. The electronic transport properties of the nanoribbons exhibit a notable response to the presence of gas molecules.
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14.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Fedorov A. S., Krasnov P.O., Visotin M. A., Ågren H.
Заглавие : Study of plasmons and thermoelectric properties of nanoparticles connected by thin conductive bridges
Коллективы : Asian School-Conference on Physics and Technology of Nanostructured Materials, Азиатская школа-конференция по физике и технологии наноструктурированных материалов
Место публикации : The Fifth Asian School-Conference on Physics and Technology of Nanostructured Materials: Proceedings. - VLadivostok: Dalnauka Publishing, 2020. - Ст.VI.30.03o. - P.168. - ISBN 978-5-8044-1698-1
Примечания : This study was supported by the Russian Science Foundation, project no. 16-13-00060.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tarasov A. S., Visotin M. A., Varnakov S. N., Ovchinnikov S. G.
Заглавие : Growth of α-FeSi2 nanocrystals on silicon surface: the impact of gold and the Si/Fe flux ratio, the origin and the prediction of α/Si orientation relationships and interface structures
Коллективы : International Online Workshop on the properties of Functional MAX-materials, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Место публикации : 1st FunMAX Workshop 2020: Book of Abstracts/ , Ин-т физики им. Л.В. Киренского. - 2020. - P11
Примечания : Cited References: 2. - The study was carried out with the financial support of the Government of the Russian Federation within the framework of a grant for the creation of world-class laboratories (Agreement No. 075-15-2019-1886).
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16.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Zhandun V. S., Zamkova N. G., Maximova O. A., Lyashchenko S. A., Vysotin M. A., Sandalov I. S.
Заглавие : Electronic structure and magnetic properties of iron silicides
Коллективы : Asian School-Conference on Physics and Technology of Nanostructured Materials, Азиатская школа-конференция по физике и технологии наноструктурированных материалов
Место публикации : The Fifth Asian School-Conference on Physics and Technology of Nanostructured Materials: Proceedings. - VLadivostok: Dalnauka Publishing, 2020. - Ст.PS.03.04i. - P.26. - ISBN 978-5-8044-1698-1
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17.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Visotin M. A., Tarasov I. A., Fedorov A. S., Ovchinnikov S. G.
Заглавие : Iron disilicide lattice thermal expansion coefficients from first principle calculations
Коллективы : Asian School-Conference on Physics and Technology of Nanostructured Materials, Азиатская школа-конференция по физике и технологии наноструктурированных материалов
Место публикации : The Fifth Asian School-Conference on Physics and Technology of Nanostructured Materials: Proceedings. - VLadivostok: Dalnauka Publishing, 2020. - Ст.III.31.04o. - P.83. - ISBN 978-5-8044-1698-1
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18.

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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19.

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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20.

Вид документа : Статья из журнала
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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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