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A hybrid quantum–classical theory for predicting terahertz charge-transfer plasmons in metal nanoparticles on graphene / A. S. Fedorov, E. V. Eremkin, P. O. Krasnov [et al.] // J. Chem. Phys. - 2024. - Vol. 160, Is. 4. - Ст. 044117, DOI 10.1063/5.0178247. - Cited References: 61. - This study was funded by the Ministry of Science and High Education of Russian Federation, Project No. FSRZ-2023-0006. The calculations of CTPs in specific NP–graphene complexes were performed within the RSF Grant No. 23-12-20007 and the Krasnoyarsk Territorial Foundation for Support of Scientific and R & D Activities, Agreement No. 256. H. Ågren was supported by the Swedish Science Research Council on Contract No. 2022-03405 . - ISSN 0021-9606. - ISSN 1089-7690
Аннотация: Metal nanoparticle (NP) complexes lying on a single-layer graphene surface are studied with a developed original hybrid quantum–classical theory using the Finite Element Method (FEM) that is computationally cheap. Our theory is based on the motivated assumption that the carrier charge density in the doped graphene does not vary significantly during the plasmon oscillations. Charge transfer plasmon (CTP) frequencies, eigenvectors, quality factors, energy loss in the NPs and in graphene, and the absorption power are aspects that are theoretically studied and numerically calculated. It is shown the CTP frequencies reside in the terahertz range and can be represented as a product of two factors: the Fermi level of graphene and the geometry of the NP complex. The energy losses in the NPs are predicted to be inversely dependent on the radius R of the nanoparticle, while the loss in graphene is proportional to R and the interparticle distance. The CTP quality factors are predicted to be in the range ~ 10 – 100. The absorption power under CTP excitation is proportional to the scalar product of the CTP dipole moment and the external electromagnetic field. The developed theory makes it possible to simulate different properties of CTPs 3–4 orders of magnitude faster compared to the original FEM or the finite-difference time domain method, providing possibilities for predicting the plasmonic properties of very large systems for different applications.

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Держатели документа:
International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, 660041 Krasnoyarsk, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
Institute of Computational Modeling SB RAS, 660036 Krasnoyarsk, Russia
Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Eremkin, E. V.; Krasnov, P. O.; Gerasimov, V. S.; Agren, H.; Polyutov, S. P.
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Intense charge transfer plasmons in golden nanoparticle dimers connected by conductive molecular linkers / A. S. Fedorov, M. A. Visotin, A. V. Lukyanenko [et al.] // J. Chem. Phys. - 2024. - Vol. 160, Is. 8. - Ст. 084110, DOI 10.1063/5.0183334. - 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 . - ISSN 0021-9606. - ISSN 1089-7690
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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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
International Research Center of Spectroscopy and Quantum Chemistry – IRC SQC, Siberian Federal University, 660041 Krasnoyarsk, Russia
Siberian Federal University, 660041 Krasnoyarsk, Russia
Institute of Computational Modeling, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Visotin, M. A.; Высотин, Максим Александрович; Lukyanenko, A. V.; Лукьяненко, Анна Витальевна; Gerasimov, V. S.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич
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Tamm plasmons in TiO2 nanotube photonic crystals / M. V. Pyatnov, R. G. Bikbaev, I. V. Timofeev [et al.] // Photonics. - 2023. - Vol. 10, Is. 1. - Ст. 64, DOI 10.3390/photonics10010064. - Cited References: 40. - This research was funded by Russian Science Foundation and Krasnoyarsk Regional Fund of Science, project № 22-22-20078, https://rscf.ru/project/22-22-20078/ (accessed on 01 January 2023) . - ISSN 2304-6732
Кл.слова (ненормированные):
photonic crystals -- titanium dioxide -- absorbers -- anodization
Аннотация: The anodic TiO2 photonic crystals evoke great interest for application as photocatalytic media due to high absorption of light resuling from their specific structure. In this work, the optical properties of the photonic crystal based on a bamboo-type TiO2 nanotube with a metallic coating are analyzed theoretically by the finite-difference time-domain method. The occurrence of Tamm plasmons that appears as a peak in the absorption spectrum is predicted. A Tamm plasmon polariton is a localized state of light excited at the boundary of two highly reflective media, a metal and a Bragg reflector. The integral absorption of the gold-, titanium-, and titanium nitride-coated photonic crystals in the wavelength range of 450–600 nm is calculated. It is established that the titanium nitride-coated structure exhibits the maximum integral absorption.

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Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, 660036 Krasnoyarsk, Russia
Siberian Federal University, 660041 Krasnoyarsk, Russia
Institute of Computational Modelling, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, 660036 Krasnoyarsk, Russia

Доп.точки доступа:
Pyatnov, M. V.; Пятнов, Максим Владимирович; Bikbaev, R. G.; Бикбаев, Рашид Гельмединович; Timofeev, I. V.; Тимофеев, Иван Владимирович; Ryzhkov, Ilya I.; Vetrov, S. Ya.; Ветров, Степан Яковлевич; Shabanov, V. F.; Шабанов, Василий Филиппович
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Broadband Tamm plasmons in chirped photonic crystals for light-induced water splitting / M. V. Pyatnov, R. G. Bikbaev, I. V. Timofeev [et al.] // Nanomaterials. - 2022. - Vol. 12, Is. 6. - Ст. 928, DOI 10.3390/nano12060928. - Cited References: 41 . - ISSN 2079-4991
Кл.слова (ненормированные):
water splitting -- plasmon catalysis -- solar-to-hydrogen efficiency -- photocurrent
Аннотация: An electrode of a light-induced cell for water splitting based on a broadband Tamm plasmon polariton localized at the interface between a thin TiN layer and a chirped photonic crystal has been developed. To facilitate the injection of hot electrons from the metal layer by decreasing the Schottky barrier, a thin n-Si film is embedded between the metal layer and multilayer mirror. The chipping of a multilayer mirror provides a large band gap and, as a result, leads to an increase in the integral absorption from 52 to 60 percent in the wavelength range from 700 to 1400 nm. It was shown that the photoresponsivity of the device is 32.1 mA/W, and solar to hydrogen efficiency is 3.95%.

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Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Computer Modelling, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Pyatnov, M. V.; Пятнов, Максим Владимирович; Bikbaev, R. G.; Бикбаев, Рашид Гельмединович; Timofeev, I. V.; Тимофеев, Иван Владимирович; Ryzhkov, I. I.; Vetrov, S. Ya.; Ветров, Степан Яковлевич; Shabanov, V. F.; Шабанов, Василий Филиппович
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Charge-transfer plasmons of complex nanoparticle arrays connected by conductive molecular bridges / A. S. Fedorov, M. A. Visotin, E. V. Eremkin [et al.] // Phys. Chem. Chem. Phys. - 2022. - Vol. 24, Is. 32. - P. 19531-19540, DOI 10.1039/d2cp01811j. - Cited References: 43. - The work is supported (ASF, EVE, POK, and SPP) by the Russian Science Foundation (project no. 18-13-00363) . - ISSN 1463-9076
Кл.слова (ненормированные):
Charged nanoparticles -- Complex nanoparticles -- Coulombs energy -- External electromagnetic field -- Molecular bridges -- Molecular dynamics algorithms -- Molecular linkers -- Nanoparticle array -- Plasmon frequency -- Statistic approaches
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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Держатели документа:
International Research Center of Spectroscopy and Quantum Chemistry - IRC SQC, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Department of Physics and Astronomy, Uppsala University, Box 516, Uppsala, SE-751 20, Sweden
Federal Siberian Research Clinical Center under FMBA of Russia, Krasnoyarsk, 660037, Russian Federation

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Visotin, M. A.; Высотин, Максим Александрович; Eremkin, E. V.; Krasnov, P. O.; Agren, H.; Polyutov, S. P.
}
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    Plasmonic lattice Kerker effect in ultraviolet-visible spectral range / V. S. Gerasimov, A. E. Ershov, R. G. Bikbaev [et al.] // Phys. Rev. B. - 2021. - Vol. 103, Is. 3. - Ст. 035402, DOI 10.1103/PhysRevB.103.035402. - Cited References: 66. - The research was supported by the Ministry of Science and High Education of Russian Federation, Project No. FSRZ-2020-0008, by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, project number 20-42-240003 and by the Russian Science Foundation (Project No. 18-13-00363) (numerical calculations of phase dependences and corresponding research), A. E. acknowledges the grant of the President of the Russian Federation, agreement No. 075–15–2019–676 . - ISSN 2469-9950
   Перевод заглавия: Эффект Керкера на плазмонной решетке в ультрафиолетовой и видимой области спектра
Кл.слова (ненормированные):
Aluminum -- Dielectric materials -- Geometry -- Nanostructures -- Plasmons -- Surface plasmon resonance
Аннотация: Mostly forsaken, but revived after the emergence of all-dielectric nanophotonics, the Kerker effect can be observed in a variety of nanostructures from high-index constituents with strong electric and magnetic Mie resonances. A necessary requirement for the existence of a magnetic response limits the use of generally nonmagnetic conventional plasmonic nanostructures for the Kerker effect. In spite of this, we demonstrate here the emergence of the lattice Kerker effect in regular plasmonic Al nanostructures. Collective lattice oscillations emerging from the delicate interplay between Rayleigh anomalies and localized surface plasmon resonances both of electric and magnetic dipoles, and electric and magnetic quadrupoles result in suppression of the backscattering in a broad spectral range. Variation of geometrical parameters of Al arrays allows for tailoring the lattice Kerker effect throughout UV and visible wavelength ranges, which is close to impossible to achieve using other plasmonic or all-dielectric materials. It is argued that our results set the ground for wide ramifications in the plasmonics and further application of the Kerker effect.

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Держатели документа:
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Computational Modelling of the Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
L. V. Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Optics, University of Rochester, Rochester, NY 14627, United States

Доп.точки доступа:
Gerasimov, V. S.; Ershov, A. E.; Bikbaev, R. G.; Бикбаев, Рашид Гельмединович; Rasskazov, I. L.; Isaev, I. L.; Semina, P. N.; Kostyukov, A. S.; Zakomirnyi, V. I.; Polyutov, S. P.; Karpov, S. V.; Карпов, Сергей Васильевич
}
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Charge transfer plasmons in the arrays of nanoparticles connected by conductive linkers / A. S. Fedorov, M. A. Visotin, V. S. Gerasimov [et al.] // J. Chem. Phys. - 2021. - Vol. 154, Is. 8. - Ст. 012009, DOI 10.1063/5.0040128. - Cited References: 41. - This study was supported by the Russian Science Foundation, Project No. 18-13-00363 . - ISSN 0021-9606
Кл.слова (ненормированные):
Analytical expressions -- Carrier scattering -- Charge displacement -- External electromagnetic field -- Finite difference time domain simulations -- Metallic nanoparticles -- Numerical solution -- Plasmon oscillations
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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Держатели документа:
International Research Center of Spectroscopy and Quantum Chemistry - IRC SQC, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
National Research Tomsk State University, Tomsk, 634050, Russian Federation
Institute of Computational Modelling, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Federal Siberian Research Clinical Centre, FMBA of Russia, Krasnoyarsk, 660037, Russian Federation
Kyungpook National University, Daegu, 41566, South Korea

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Visotin, M. A.; Высотин, Максим Александрович; Gerasimov, V. S.; Polyutov, S. P.; Avramov, P. A.
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Photosensitivity and reflectivity of the active layer in a Tamm-plasmon-polariton-based organic solar cell / R. G. Bikbaev, S. Y. Vetrov, I. V. Timofeev, V. F. Shabanov // Appl. Opt. - 2021. - Vol. 60, Is. 12. - P. 3338-3343, DOI 10.1364/AO.421374. - Cited References: 49. - The reported study was funded by the grant of the President of Russian Federation No. MK-46.2021.1.2 and by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research project No. 19-42-240004 . - ISSN 1559-128X
Кл.слова (ненормированные):
Light sensitive materials -- Mirrors -- Phonons -- Photons -- Photosensitivity -- Plasmons -- Active Layer -- Dielectric mirrors -- Integral absorption -- Lower boundary -- Metal contacts -- Photosensitive layers -- Plasmon-polaritons -- Organic solar cells
Аннотация: We report on a model of an organic solar cell in which a photosensitive layer doped with plasmon nanoparticles acts as not only an absorbing element but also a mirror involved in the formation of the Tamm plasmon polariton. It is shown that such solar cells can be fabricated without metal contacts, thus avoiding undesired losses in the system. Methods for an additional increase in the integral absorption by applying metal or dielectric mirrors to the lower boundary of the photonic crystal are proposed. It has been found that the integral absorption in the active layer can be increased by15%compared to classical optimized planar solar cells.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Bikbaev, R. G.; Бикбаев, Рашид Гельмединович; Vetrov, S. Ya.; Ветров, Степан Яковлевич; Timofeev, I. V.; Тимофеев, Иван Владимирович; Shabanov, V. F.; Шабанов, Василий Филиппович
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Thermoelectric and Plasmonic Properties of Metal Nanoparticles Linked by Conductive Molecular Bridges / A. S. Fedorov, P. O. Krasnov, M. A. Visotin [et al.] // Phys. Status Solidi B. - 2020. - Vol. 257, Is. 12. - Ст. 2000249, DOI 10.1002/pssb.202000249. - 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) . - ISSN 0370-1972. - ISSN 1521-3951

РУБ Physics, Condensed Matter
Рубрики:
POLYMERS
ARRAYS
RANGE
Кл.слова (ненормированные):
charge transfer plasmons -- density functional theory -- nanoparticles -- thermoelectric properties
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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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
RAS, Kirensky Inst Phys, KSC, SB, Krasnoyarsk 660036, Russia.
Tomsk State Univ, Tomsk 634050, Russia.

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Krasnov, Pavel O.; Visotin, M. A.; Высотин, Максим Александрович; Tomilin, F. N.; Томилин, Феликс Николаевич; Polyutov, Sergey P.; Russian Science FoundationRussian Science Foundation (RSF) [16-13-00060]; Ministry of Science and High Education of the Russian Federation; FSRZ-2020-0008 (plasmonic properties)
}
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10.

Study of plasmons and thermoelectric properties of nanoparticles connected by thin conductive bridges / A. S. Fedorov, P. O. Krasnov, M. A. Visotin, H. Ågren // The Fifth Asian School-Conference on Physics and Technology of Nanostructured Materials : Proceedings. - VLadivostok : Dalnauka Publishing, 2020. - Ст. VI.30.03o. - P. 168. - This study was supported by the Russian Science Foundation, project no. 16-13-00060. . - ISBN 978-5-8044-1698-1

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Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Krasnov, P.O.; Visotin, M. A.; Высотин, Максим Александрович; Ågren, H.; Asian School-Conference on Physics and Technology of Nanostructured Materials(5 ; 2020 ; 30 Jul - 3 Aug ; Vladivostok); Азиатская школа-конференция по физике и технологии наноструктурированных материалов(5 ; 2013 ; 30 июля - 3 авг. ; Владивосток)
}
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