Персона:
Катин, Константин Петрович

Научные группы

Научная группа

Организационные подразделения

Организационная единица

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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Катин

Имя

Константин Петрович

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Теперь показываю 1 - 10 из 154

Только метаданные
Synthesis of carbon modified with polymer of diethylenetriamine and trimesoyl chloride for the dual removal of Hg (II) and methyl mercury ([CH3Hg]+) from wastewater: Theoretical and experimental analyses
(2022) Tuzen, M.; Sari, A.; Afshar, Mogaddam, M. R.; Kaya, S.; Katin, K. P.; Катин, Константин Петрович
© 2021 Elsevier B.V.A novel adsorbent was synthesized by modification of waste rubber tiers derived activated carbon (AC) with diethylenetriamine (DETA)-trimesoyl chloride (TMC) copolymer. The synthesized AC/DETA-TMC nanocomposite was characterized by FT-IR and SEM/EDX techniques. Dependency of the adsorption yield on the batch parameters was studied via factorial design method. From the non-linear Langmuir isotherm model, the adsorption capacity of the AC/DETA-TMC nanocomposite was determined as 317.3 and 263.6 mg g−1 for inorganic mercury (Hg2+) and organic mercury (methyl mercury; [CH3Hg]+, respectively. The adsorption kinetic mechanism of both mercury species was recognized well by the PSO model. The thermodynamic calculations verified that the adsorption processes progressed spontaneously and exothermically. The cycling adsorption/desorption treatments exposed that the produced nanocomposite showed still reusable performance in moderate level until seven cycles. The nanocomposite demonstrated high removal performance in case of wastewater samples. To investigate the power of the interactions between studied chemical species, DFT calculations were performed and adsorption energies were calculated. It is important to note that theoretical results support the experiments made.
Только метаданные
Tuning the supercritical effective charge in gapless graphene via Fermi velocity modifying through the mechanical stretching
(2019) Katin, K. P.; Krylov, K. S.; Maslov, M. M.; Mur, V. D.; Катин, Константин Петрович; Маслов, Михаил Михайлович
© 2019 Elsevier B.V.We present a theoretical study of the stretched graphene containing the Coulomb impurity. The cases of uniaxial armchair/zigzag and biaxial symmetry stretching are considered. For the uniaxial stretching, we found the gap opening with the non-monotonic dependence between the gap value and the strain. For the biaxial stretching, we observe a monotonic decreasing of Fermi velocity without the gap opening. Non-relativistic ab initio calculations of graphene electronic structure are combined with the analytical solution of relativistic Dirac equation. We found that the sheet stretching could provide a smooth fitting of Fermi velocity and, therefore, the smooth transformation of subcritical Coulomb impurity to the supercritical one.
Только метаданные
Moire diamanes based on the hydrogenated or fluorinated twisted bigraphene: The features of atomic and electronic structures, Raman and infrared spectra
(2021) Chernozatonskii, L. A.; Demin, V. A.; Katin, K. P.; Maslov, M. M.; Катин, Константин Петрович; Маслов, Михаил Михайлович
© 2020 Elsevier B.V.We applied density functional theory to predict the atomic and electronic structures, Raman, and IR spectra of the new diamond-like 2D materials – Moiré diamanes (Dns). They are based on the fully hydrogenated or fluorinated twisted bilayer graphenes (tBG) and are formed by interlayer connection. Due to the twisted structure of Moiré bilayer, graphene interlayer connection significantly different from the connection of AA- or AB-stacked bilayer that dictates their property features. We consider characteristics of hydrogenated and fluorinated Moiré diamanes with the simplest unit cell based on the 21.8° tBG- Dn21.8 and F-Dn21.8, respectively. The calculated band structures of considered twisted diamanes show the band gaps higher than 4 eV exceed the gaps of standard diamanes. The presence of a large number of narrow peaks of densities of states (DOS) connected with flattened minizones provides their applicability in optical and optoelectronic devices. To identify Dn21.8 or F-Dn21.8, we calculate and describe Raman and IR spectral features of both structures, which turned out to be similar. The most active Raman frequencies of these Moiré structures are blue-shifted concerning standard AA or AB-stacked diamanes. In contrast to traditionally stacked arrangements, considered twisted diamanes can interact with the light polarized parallel to the film plane.
Только метаданные
Probing of Neural Networks as a Bridge from Ab Initio Relevant Characteristics to Differential Scanning Calorimetry Measurements of High-Energy Compounds
(2022) Bondarev, N. V.; Kochaev, A. I.; Kaya, S.; Katin, K. P.; Merinov, V. B.; Maslov, M. M.; Катин, Константин Петрович; Меринов, Валерий Борисович; Маслов, Михаил Михайлович
© 2021 Wiley-VCH GmbHThe relationships between the theoretical values calculated using density functional theory and experimental data derived from the differential scanning calorimetry of high-energy organic compounds are studied. The theoretical values are the number of atoms and bonds of different types and their lengths, minimum eigenfrequencies, atomization energies, ionization potentials, electron affinities, and frontier orbital energies. The experimental data are the amounts of releasing heat (the first peaks higher than 1 kJ g−1) and corresponding temperatures. Neural networks and regression, factor, discriminant, and cluster analysis are applied to find the dependencies between theoretical values and experimental data. It is found that the heat amount cannot be predicted in the general cases, whereas the corresponding temperature can be predicted with a neural network with an accuracy of ≈30 °C. Cluster and discriminant analysis provides the way for the classification of high-energy compounds into three groups. Some of these groups require particular rules for the prediction of experimental data from the theoretical values.
Только метаданные
Computational characterization of novel nanostructured materials: A case study of NiCl2
(2024) Kalika, E. B.; Verkhovtsev, A.V.; Maslov, M. M.; Katin, K. P.; Маслов, Михаил Михайлович; Катин, Константин Петрович
Только метаданные
Computational investigation of lithium-based 2D materials for hydrogen storage
(2026) Iakovlev, A. S.; Katin, K. P.; Яковлев, Александр Сергеевич; Катин, Константин Петрович
Только метаданные
Adsorption of 40 low molecular weight drugs on pristine and fluorinated C60 fullerenes: Ab initio, statistical and neural networks analysis
(2023) Kalika, E. B.; Bondarev, N. V.; Katin, K. P.; Grekova, A. A.; Maslov, M. M.; Катин, Константин Петрович; Маслов, Михаил Михайлович
Только метаданные
Surface interaction and inhibition mechanism prediction of Aciclovir molecule on Fe (110) using computational model based on DFT, RDF and MD simulation
(2024) Chikaodili, Anadebe, V.; Abeng, F. E.; Thakur, A.; Katin, K. P.; Катин, Константин Петрович
Только метаданные
Switching between Topological Phases in Double Moire hBN-Graphene-hBN Heterostructure with Twist Angles
(2025) Renu; Katin, K. P.; Muruganathan, M.; Kumar, R.; Катин, Константин Петрович
Только метаданные
Development of new sustainable pyridinium ionic liquids: From reactivity studies to mechanism-based activity predictions
(2024) Borikhonov, B.; Berdimurodov, E.; Kholikov, T.; Katin, K.; Катин, Константин Петрович