Персона: Маслов, Михаил Михайлович
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Институт нанотехнологий в электронике, спинтронике и фотонике
Институт ИНТЭЛ занимается научной деятельностью и подготовкой специалистов в области исследования физических принципов, проектирования и разработки технологий создания компонентной базы электроники гражданского и специального назначения, а также построения современных приборов на её основе.
Наша основная цель – это создание и развитие научно-образовательного центра мирового уровня в области наноструктурных материалов и устройств электроники, спинтроники, фотоники, а также создание эффективной инновационной среды в области СВЧ-электронной и радиационно-стойкой компонентной базы, источников ТГц излучения, ионно-кластерных технологий материалов.
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Михаил Михайлович
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- ПубликацияОткрытый доступПРОГРАММНОЕ ОБЕСПЕЧЕНИЕ ДЛЯ ОПРЕДЕЛЕНИЯ ОПТИМАЛЬНОГО РАЗМЕРА СВЕРХЪЯЧЕЕК ПРИ МОДЕЛИРОВАНИИ КОМПОЗИТНЫХ НАНОМАТЕРИАЛОВ(НИЯУ МИФИ, 2024) Кулямин, П. А.; Маслов, М. М.; Меринов, В. Б.; Катин, К. П.; Катин, Константин Петрович; Кулямин, Павел Андреевич; Маслов, Михаил Михайлович; Меринов, Валерий БорисовичПрограмма предназначена для определения оптимального числа элементарных ячеек, составляющих сверхъячейки различных квазидвумерных материалов, для достижения их наибольшей соизмеримости при моделировании композитных низкоразмерных структур. Область применения: компьютерное моделирование квазидвумерных композитных наноматериалов с использованием сверхъячеек. Программа позволяет по заданным постоянным решетки двух различных квазидвумерных материалов получить эффективные размеры их сверхъячеек, обладающие минимальным расхождением структурных параметров. Программа создана при поддержке Министерства науки и высшего образования Российской Федерации от 31.12.2022 № FSWU-2023-0075. Тип ЭВМ: IBM PC-совмест. ПК. ОС: Windows 7/8/9/10.
- ПубликацияТолько метаданныеAA-Stacked Borophene-Graphene Bilayer with Covalent Bonding: Ab Initio Investigation of Structural, Electronic and Elastic properties(2020) Kochaev, A.; Meftakhutdinov, R.; Katin, K.; Maslov, M.; Катин, Константин Петрович; Маслов, Михаил МихайловичIn this Letter, we study the structural, electronic, and elastic properties of single-layer striped borophene stacked on top of single-layer graphene. Through DFT calculation, we show that both the properties of striped borophene and graphene are not fully preserved in the novel heterostructure, which obviously depends on the nature of the chemical bond between the layers. The obtained phonon spectrum confirms the stability of this compound. The divergence of branches in the band structure appears below the Fermi level in the K point in the first Brillouin zone. Moreover, this heterostructure possesses excellent elastic properties and can be considered for use in the field of 2D acousto- and optoelectronics.
- ПубликацияТолько метаданныеCarbon vs silicon polyprismanes: a comparative study of metallic sp(3)-hybridized allotropes(2020) Maslov, M. M.; Grishakov, K. S.; Gimaldinova, M. A.; Katin, K. P.; Маслов, Михаил Михайлович; Гришаков, Константин Сергеевич; Гимальдинова, Маргарита Александровна; Катин, Константин ПетровичPolyprismanes are the special type of single-walled nanotubes with an extremely small cross-section in the form of a regular polygon. In the presented study, we considered carbon and silicon polyprismanes that are constructed from carbon and silicon five-, six-, seven- and eight-membered rings, respectively. By means of density functional theory using the periodic boundary conditions, the geometry and electronic characteristics of these tubes were investigated. The results obtained indicate that, with an increase in the effective diameter, carbon polyprismanes undergo an abrupt change in electronic properties, which can be described as a transition from the dielectric to the metallic state. The character of the energy spectrum, as well as the behavior of transmission function near the Fermi level, illustrate that at some critical diameter they begin to exhibit non-typical for the sp(3)-carbon systems metallic nature. In such a case, it has been found from the partial density of electronic states calculation that the overlapping of bands near the Fermi level is mainly due to the 2p state of carbon atoms. Unlike carbon analogs, silicon polyprismanes are metals for any considered diameter. The metallic properties of the silicon polyprismanes arise due to the 3p states of the silicon atoms. Unexpected properties endowed by the prismane morphology discover new prospects of application of carbon and silicon nanostructures as the basic elements of future electronics.
- ПубликацияТолько метаданныеSilicon rebirth: Ab initio prediction of metallic sp3-hybridized silicon allotropes(2020) Katin, K. P.; Grishakov, K. S.; Gimaldinova, M. A.; Maslov, M. M.; Катин, Константин Петрович; Гришаков, Константин Сергеевич; Гимальдинова, Маргарита Александровна; Маслов, Михаил Михайлович© 2019 Elsevier B.V.We report the prediction of metallic quasione-dimensional sp3-hybridized silicon allotropes in the form of prismanes. Silicon prismanes or polysilaprismanes are the silicon nanotubes of a special type constructed from the dehydrogenated molecules of cyclosilanes (silicon rings). By means of density functional theory, the electronic, geometry, energy, and some mechanical properties of these tubes are investigated. Our results show that silicon polyprismanes are thermodynamically stable compounds, and the character of the energy spectrum, as well as the behavior of transmission function near the Fermi level, illustrate that they exhibit non-typical for the silicon systems metallic nature. Moreover, the metallic state of polysilaprismanes is resistant to the mechanical stresses applied along their main axis. Unusual properties predicted in the presented study discover new prospects of application of silicon nanostructures as the basic elements of future micro- and nanoelectronics, as well as in energy, metrology, medical, and information technologies.
- ПубликацияТолько метаданныеKinetic stability of nitrogen cubane inside the fullerene cage: Molecular dynamics study(2020) Gimaldinova, M. A.; Katin, K. P.; Grishakov, K. S.; Maslov, M. M.; Гимальдинова, Маргарита Александровна; Катин, Константин Петрович; Гришаков, Константин Сергеевич; Маслов, Михаил МихайловичUsing tight-binding molecular dynamics simulations, we study kinetic stability of the nitrogen cubane inside the fullerene carbon cage. The main identified mechanism of N-8 decomposition is the N-N bond breaking with the further rapid "splitting" into the N-2 molecules that can form the strong covalent bonds with the inner surface of the fullerene cage. It is found that the fullerene cage significantly increases the stability of the N-8 cube, but its lifetime at room temperature is insufficient to observe the endohedral complex N-8@C-60 without the use of extreme temperature conditions. It can be synthesized and investigated only at cryogenic temperatures.
- ПубликацияТолько метаданныеEffect of an Electric Field on a Lithium Ion in a Channel of the Doped Silicene–Graphite System(2020) Galashev, A. E.; Rakhmanova, O. R.; Zaikov, Y. P.; Katin, K. P.; Maslov, M. M.; Катин, Константин Петрович; Маслов, Михаил Михайлович© 2020, Pleiades Publishing, Ltd.Abstract: Using the method of molecular dynamics, the behavior of a lithium ion under the action of a constant electric field in a channel formed by silicene sheets doped with phosphorus is studied. It is shown that if the intersheet space in doped silicene is 0.6 nm, then a single lithium ion can freely enter a channel located on a graphite substrate (with the layers doped with nitrogen) and move along the channel. It is found that doping element phosphorus has a strengthening effect on silicene. Two-dimensional silicon structures are slightly deformed but not destroyed and remain stable during the entire calculation time (100 ps). It is shown that the roughness of silicene sheets and the volume of the intersheet space in the channel do not increase after the lithium ion passes through it, since the crystalline structure of silicene is preserved.
- ПубликацияТолько метаданныеTheoretical and experimental studies aimed at the development of vortex-assisted supramolecular solvent microextraction for determination of nickel in plant samples by FAAS(2020) Elik, A.; Demirbas, A.; Altunay, N.; Maslov, M. M.; Katin, K. P.; Маслов, Михаил Михайлович; Катин, Константин Петрович© 2020 Elsevier B.V.In this study, a miniaturized analytical methodology was introduced by combining vortex-assisted supramolecular–based dispersive liquid–liquid microextraction (VA–SUPRAS-DLLME) with flame atomic absorption spectrometry (FAAS) for determining nickel in plant samples. The SUPRAS (as extraction solvent) was prepared with a mixture of tetra-n-butylammonium hydroxide (Bu4NOH) and 1-undecanol. With both experimental study and computational chemistry approaches, it was shown that the effective extraction of Ni (II) ion was achieved by using Crystal violet as complexing reagent. Factors affecting the extraction efficiency of Ni(II) ion were optimized in detail. Under the optimal microextraction conditions, an enrichment factor of 195 was obtained. In addition, the linearity, the detection limit, and limit of quantification, and matrix effect were 3.3–600 ng mL−1, 1.0 ng mL−1, 3.3 ng mL−1 and 7.8%, respectively. The validation of the method was checked by the analysis of certified reference material, addition-recovery tests, uncertainty measurement, and robustness. Following validation studies, the VA–SUPRAS-DLLME method is successfully applied to the determination of nickel in plant samples with quantitative recoveries.
- ПубликацияТолько метаданныеAb initio modeling of dynamic stability of silicon prismanes(2020) Gimaldinova, M. A.; Kochaev, A. I.; Maslov, M. M.; Гимальдинова, Маргарита Александровна; Маслов, Михаил МихайловичWe present the results of a study on the dynamic stability of silabiprismanes by means of the density functional theory. Silabiprismanes present an elementary case of a particular type of silicon nanotubes with an extremely small cross-section, constructed from dehydrogenated molecules of cyclosilanes (silicon rings). Unlike higher polysilaprismanes, they are formed by only three silicon rings and described by the chemical formula (Si-n)(3) H-2n. In the presented study, we limited ourselves to the cases n = 5 divided by 7. We focused on a detailed review of the mechanisms of isomerization and decomposition. Configurations of the corresponding transition states were determined, and the kinetic parameters in the Arrhenius law (activation energy and frequency factor) were evaluated. Silabiprismanes are found to be much more stable compounds than their carbon analogous. Their lifetimes at room temperature achieve hundreds of seconds, but at 200 K, their stability increases significantly. Thus, their lifetimes are sufficiently high for the identifying and studying of silicon biprismanes, but not for their industrial applications. Therefore, unsubstituted silabiprismanes require lower temperatures of operation, and their applicability is restricted. Although the general pyrolysis path is the same for all considered cages, its features strongly and non-monotonically depend on n. It is confirmed that the hexagonal and heptagonal silabiprismanes are much more stable than the pentagonal one. We obtained the absence of a direct correlation between the thermodynamic and kinetic stabilities of the silicon cages under consideration.
- ПубликацияТолько метаданныеThe effect of doping on the electronic structure and optical properties of silicon biprismanes: DFT and TD-DFT studies(2020) Salem, M. A.; Gimaldinova, M. A.; Kochaev, A. I.; Maslov, M. M.; Гимальдинова, Маргарита Александровна; Маслов, Михаил МихайловичWe present the results of a study of three-layered silicon biprismanes doped with methyl radicals and fluorine atoms by means of the density functional theory. Pentagonal, hexagonal, heptagonal, and octagonal doped systems were simulated in this study. We found that larger biprismanes demonstrate weaker interaction with dopants because they are less strained, and their surfaces are "flatter". The weakening of interaction manifests itself by elongation of bond lengths between the silicon cage and the attached radicals. However, the energy gain/loss due to the reaction of substitutional doping is practically independent of the size of the system. The calculated partial Mulliken charges of fluorine atoms are about -0.3 of elementary charges. The corresponding value for methyl radicals is approximately three times smaller. HOMO-LUMO gaps of doped biprismanes demonstrate oscillations with increasing biprismane diameter with a general downward trend. The value of the gaps of the doped biprismanes is in the range from 2 to 3 eV and slightly differs from the gaps of the pristine biprismanes. The optical properties and excited states of doped biprismanes were calculated using the time-dependent density functional theory. Ultra-violet and visible spectra were determined for all considered systems. The absorption frequencies slightly depend on the radical type and the size of the system. However, the presence of radicals results in significant changes in the relative adsorption intensities of biprismanes with different shapes. We found that doping with methyl radicals and fluorine provided prevalent adsorption intensities of octagonal and hexagonal biprismanes, respectively. The observed effect can be used for optical detection of biprismanes with specific shapes or diameters in their mixture with other silicon structures.
- ПубликацияТолько метаданныеElectrochemical polymerization process and excellent electrochromic properties of ferrocene-functionalized polytriphenylamine derivative(2019) Lv, X.; Huang, C.; Tameev, A.; Qian, L.; Katin, K.; Maslov, M.; Катин, Константин Петрович; Маслов, Михаил Михайлович© 2018 A novel triphenylamine (TPA) derivative (E)–N-(4-(Diphenylamino)phenyl)- formimidoylferrocene) (TPAFc) containing ferrocene (Fc) unit was designed and synthesized successfully. Theoretical calculation and experimental data show TPAFc possesses higher HOMO energy level and the lower onset oxidative potential compared to TPA monomer. Cyclic voltammetry test demonstrates coupling reaction between TPA units and the formation of an electroactive polymer film during successive scans. This intriguing phenomenon may be ascribed to the multi-step oxidation process and Fc unit plays an important role as charge transport center for electrons moving from TPA units and the surface of the forming oligomer film to the electrode. SEM images indicate PTPAFc film shows the surface morphology of uniform tubular structures, which may largely increase the area of interface between the electrolyte solution and the polymer film. Interestingly, PTPAFc film exhibits reversible multicolor changes switched from neutral transparent color to light orange and blue in fully oxidized state, which are attributed to that the existence of Fc unit brings out multiple redox states. In addition, the polymer film presents excellent electrochromic performances in the aspect of high optical contrast (∼58%), good coloration efficiency (∼130 cm2 C−1) and fast switching time (∼2 s). In view of these excellent features, the developed PTPA derivative is very satisfactory for applications on high-performance electrochromic devices.