Персона: Катин, Константин Петрович
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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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- 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 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 метаданныеSpectrophotometric determination of aflatoxin B1 in food sample: Chemometric optimization and theoretical supports for reaction mechanisms and binding regions(2020) Altunay, N.; Gursoy, N.; Elik, A.; Simsek, S.; Katin, K. P.; Катин, Константин Петрович© 2020 Elsevier Inc.A green, simple, and cheap analytical approach for extraction, preconcentration, and determination of aflatoxin B1 (AFB1) in food samples based on vortex-assisted room temperature ionic liquid-based microextraction (VA-RTIL-ME) was presented. Important parameters including pH, metal amount, ligand amount and vortex time were optimized by using Box–Behnken design. At pH = 5.6, a ternary complex between Zn(II), fluorescein and AFB1 was formed, and extracted into the fine droplets of Tri-n-butyl phosphate (room temperature ionic liquid, extraction solvent) which were dispersed with a vortex (disperser solvent) into the extraction solution. Quantum chemical parameters and tools are widely used to predict the reaction mechanisms of interactions and binding regions of molecules. Via calculated quantum chemical parameters and energy calculations, reactions mechanisms and binding regions for studied molecules were highlighted. Under optimized conditions, linear range, limit detection, enrichment factor were 3–500 ng mL-1, 0.9 ng mL-1 and 140, respectively. Detailed validation studies (accuracy, precision, measurement uncertainty, selectivity, robustness.etc.) were performed under optimum experimental conditions. The good recoveries (93.9–104.3%) and low relative standard deviation (RSD%, 1.5-3.0%) were a good remark of the proposed method. For the reliability of analytical results, the results obtained with the developed method were compared with the standard ELISA test for AFB1. The developed method was successfully applied to the extraction and determination of AFB1 in food samples.
- 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.
- ПубликацияТолько метаданныеAcoustical characteristics of single-walled noncarbon nanotubes: Longitudinal and torsional waves(2019) Kochaev, A.; Katin, K.; Maslov, M.; Катин, Константин Петрович; Маслов, Михаил Михайлович© 2018 Elsevier B.V. A study based on nonlocal continuum elastic theory is presented on the acoustic properties of single-walled noncarbon nanotubes, including boron nitride (BN), aluminum nitride (AlN), gallium nitride (GaN), aluminum phosphide (AlP), gallium phosphide (GaP), and boron (B) nanotubes. Elastic characteristics of the noncarbon nanotubes needed to describe the elastic waves propagation correctly have been defined previously. Two-dimensional densities (2D densities) for each type of noncarbon nanotubes are calculated. The values of propagation velocities of longitudinal and torsional elastic waves for proposed nanotubes with different diameter and chirality are obtained. Specific result is that in boron nanotubes sound propagates at a speed equal 54 km/s.
- ПубликацияТолько метаданныеStability and energy characteristics of extended nitrogen nanotubes: Density functional theory study(2019) Grishakov, K. S.; Katin, K. P.; Gimaldinova, M. A.; Maslov, M. М.; Гришаков, Константин Сергеевич; Катин, Константин Петрович; Гимальдинова, Маргарита Александровна; Маслов, Михаил Михайлович© 2019, Institute for Metals Superplasticity Problems of Russian Academy of Sciences. All rights reserved.We apply the density functional theory with B3LYP exchange-correlation energy functional and the basis set 6-31G(d) to investigate structural, energetic, and electronic properties and stability of extended armchair and zigzag nitrogen nanotubes with a length of ≈ 3 nm. The capping effect, as well as the passivation of nanotubes’ ends by hydrogen atoms and hydroxyl groups on their stability, are studied. According to our calculations, pristine nitrogen nanotubes are unstable. Both capping and passivation of the nanotube ends provide thermodynamic stability only for (3, 0) and (4, 0) zigzag nitrogen nanotubes. Moreover, the calculated frequency spectra of considered systems confirm their dynamic stability. We stress the fact that some extended nitrogen nanotubes are found to be stable under ambient conditions, i. e., in the absence of external factors such as pressure, spatial confinement, etc. The calculated HOMO-LUMO gaps for these stable extended systems are of the order of 4 eV, so they can be assigned to the class of insulators. It is shown that nitrogen nanotubes are able to store a large amount of energy and can be used as a basis for new high-energy-density materials. We expect that the all-nitrogen tubes with the longer effective length of similar chiralities are also should be stable.