Publications
2020
- Kochaev, A.I., Katin, K.P., Maslov, M.M., Meftakhutdinov, R. AA-Stacked Borophene-Graphene Bilayer with Covalent Bonding: Ab Initio Investigation of Structural, Electronic and Elastic properties // The Journal of Physical Chemistry Letters. 2020. Vol. 11(14). P. 5668–5673.
- Altunay, N., Katin, K.P. Ultrasonic-assisted supramolecular solvent liquid-liquid microextraction for determination of manganese and zinc at trace levels in vegetables: Experimental and theoretical studies // Journal of Molecular Liquids. 2020. Vol. 310. P. 113192.
- Katin, K.P., Grishakov, K.S., Podlivaev, A.I., & Maslov, M.M. Molecular Hyperdynamics Coupled with the Nonorthogonal Tight-Binding Approach: Implementation and Validation // Journal of Chemical Theory and Computation. Vol. 16(4). P. 2065–2070.
- Salem, M.A., Katin, K.P., Kaya, S., Kochaev, A.I., Maslov, M.M. Interaction of dopants and functional groups adsorbed on the carbon fullerenes: Computational study // Physica E: Low-Dimensional Systems and Nanostructures. Vol. 124. P. 114319.
- Abdolahi, N., Javan, M.B., Katin, K.P., Soltani, A., Shojaee, S., Kaveh, S. The study of thiazole adsorption upon BC2N nanotube: DFT/TD-DFT investigation // Structural Chemistry. 2020.
- Maslov, M.M., Grishakov, K.S., Gimaldinova, M.A., Katin, K.P. Carbon vs silicon polyprismanes: a comparative study of metallic sp3-hybridized allotropes // Fullerenes, Nanotubes and Carbon Nanostructures. 2020. Vol. 28(2). P. 97–103.
- Gimaldinova, M.A., Katin, K.P., Grishakov, K.S., Maslov, M.M. Kinetic stability of nitrogen cubane inside the fullerene cage: Molecular dynamics study // Fullerenes, Nanotubes and Carbon Nanostructures. 2020. Vol. 28(4). P. 304–308.
- Grishakov, K.S., Katin, K.P., Maslov, M.M. The Effects of Doping on the Electronic Characteristics and Adsorption Behavior of Silicon Polyprismanes // Computation. 2020. Vol. 8(2). P. 25.
- Galashev, A.Y., Ivanichkina, K.A., Katin, K.P., Maslov, M.M. Computer Test of a Modified Silicene/Graphite Anode for Lithium-Ion Batteries // ACS Omega. 2020. Vol. 5(22). P. 13207–13218.
- Katin, K.P., Grishakov, K.S., Gimaldinova, M.A., Maslov, M.M. Silicon rebirth: Ab initio prediction of metallic sp3-hybridized silicon allotropes // Computational Materials Science. 2020. Vol. 174. P. 109480.
2019
- Galashev, A.Y., Ivanichkina, K., Katin, K.P., Maslov, M.M. Computational Study of Lithium Intercalation in Silicene Channels on a Carbon Substrate after Nuclear Transmutation Doping // Computation. 2019. Vol. 7(4). P. 60.
- Katin, K.P., Krylov, K.S., Maslov, M.M., Mur, V.D. Tuning the supercritical effective charge in gapless graphene via Fermi velocity modifying through the mechanical stretching // Diamond and Related Materials. 2019. Vol. 100. P. 107566.
- Katin, K.P., Javan, M.B., Kochaev, A.I., Soltani, A., Maslov, M.M. Kinetic Stability and Reactivity of Silicon and Fluorine‐Containing CL‐20 Derivatives // ChemistrySelect. 2019. Vol. 4(33). P. 9659–9665.
- Lv, X., Huang, C., Tameev, A., Qian, L., Zhu, R., Katin, K., Maslov, M., Nekrasov, A., Zhang, C. Electrochemical polymerization process and excellent electrochromic properties of ferrocene-functionalized polytriphenylamine derivative // Dyes and Pigments. 2019. Vol. 163. P. 433-440.
- Kochaev, A., Katin, K., Maslov, M. Acoustical characteristics of single-walled noncarbon nanotubes: Longitudinal and torsional waves // Computational Condensed Matter. 2019. Vol. 18. P. e00350.
- Malov, V.V., Ghosh, T., Nair, V.C., Maslov, M.M., Katin, K.P., Unni, K.N.N., Tameev, A.R. Hole mobility in thieno[3,2-b]thiophene oligomers // Mendeleev Communications. 2019. Vol. 29(2). P. 218-219.
- Galashev, A.Y., Katin, K.P., Maslov, M.M. Morse parameters for the interaction of metals with graphene and silicene // Physics Letters, Section A: General, Atomic and Solid State Physics. 2019. Vol. 383(2-3). P. 252-258.
- Grishakov, K.S., Katin, K.P., Prudkovskiy, V.S., Maslov, M.M. Relative stabilities of various fully functionalized graphene polymorphs under mechanical strain and electric field // Applied Surface Science. 2019. Vol. 463. P. 1051-1057.
2018
- Gimaldinova, M.A., Katin, K.P., Salem, M.A., Maslov, M.M. Energy and electronic characteristics of silicon polyprismanes: Density functional theory study // Letters on Materials. 2018. Vol. 8(4). P. 454-457.
- Qian, L., Lv, X., Ouyang, M., Tameev, A., Katin, K., Maslov, M., Bi, Q., Huang, C., Zhu, R., Zhang, C. Fast Switching Properties and Ion Diffusion Behavior of Polytriphenylamine Derivative with Pendent Ionic Liquid Unit // ACS Applied Materials and Interfaces. 2018. Vol. 10(38). P. 32404-32412.
- Gordeychuk, M.V., Katin, K.P., Grishakov, K.S., Maslov, M.M. Silicon buckyballs versus prismanes: Influence of spatial confinement on the structural properties and optical spectra of the Si18H12 and Si19H12 clusters // International Journal of Quantum Chemistry. 2018. Vol. 118(15). P. 1.
- V.S. Prudkovskiy, F. Iacovella, K.P. Katin, M.M. Maslov, N. Cherkashin. A bottom-up approach for controlled deformation of carbon nanotubes through blistering of supporting substrate surface // Nanotechnology. 2018. Vol. 29(36). P. 365304.
- Katin, K.P., Maslov, M.M. Thermal stability of carbon [n,5] prismanes (n = 2–4): a molecular dynamics study // Molecular Simulation. 2018. Vol. 44(9). P. 703-707.
- Grishakov, K.S., Katin, K.P., Maslov, M.M. Strain-induced semiconductor-to-metal transitions in C36-based carbon peapods: Ab initio study // Diamond and Related Materials. 2018. Vol. 84. P. 112-118.
- Dolinskii, I.Y., Katin, K.P., Grishakov, K.S., Prudkovskii, V.S., Kargin, N.I., Maslov, M.M. Influence of Mechanical Stretching on Adsorption Properties of Nitrogen-Doped Graphene // Physics of the Solid State. 2018. Vol. 60(4). P. 821-825.
- Katin, K.P., Maslov, M.M. Stone-Wales defects in nitrogen-doped C20 fullerenes: Insight from ab initio calculations // Physica E: Low-Dimensional Systems and Nanostructures. 2018. Vol. 96. P. 6-10.
- Katin K.P., Prudkovskiy V.S., Maslov M.M. Molecular dynamics simulation of nickel-coated graphene bending // Micro&Nano Letters. 2018. Vol. 13(2). P. 160-164.
- Gimaldinova, M.A., Maslov, M.M., Katin, K.P. Electronic and reactivity characteristics of CL-20 covalent chains and networks: a density functional theory study // CrystEngComm. 2018. Vol. 20(30). P. 4336-4344.
- Prudkovskiy, V.S., Katin, K.P., Maslov, M.M., Puech, P., Yakimova, R., Deligeorgis, G. High robustness of epitaxial 4H-SiC graphene to oxidation processes // Journal of Physics: Conference Series. 2018. Vol. 1124(8). P. 081020.
2017
- N.V. Novikov, M.M. Maslov, K.P. Katin, V. S. Prudkovskiy. Effect of DFT-functional on the energy and electronic characteristics of carbon compounds with the unconventional geometry of the framework // Letters on Materials. 2017. Vol. 7(4). P. 433-436.
- Katin K.P., Prudkovskiy V.S., Maslov M.M. Chemisorption of hydrogen atoms and hydroxyl groups on stretched graphene: A coupled QM/QM study // Physics Letters A. 2017. V. 381. P. 2686-2690.
- Katin K.P., Maslov M.M. Toward CL-20 crystalline covalent solids: On the dependence of energy and electronic properties on the effective size of CL-20 chains // Journal of Physics and Chemistry of Solids. 2017. V. 108. P. 82-87.
- Katin K.P., Javan M.B., Maslov M.M., Soltani A. Effect of the embedded atom on the electronic, optical properties and kinetic stability of [3,6]silaprismane // Chemical Physics. 2017. V. 487. P. 59-66.
- Grishakov K.S., Elesin V.F., Maslov M.M., Katin K.P. Theoretical Study of High-Frequency Response of InGaAs/AlAs Double-Barrier Nanostructures // Advances in Materials Science and Engineering. 2017. V. 2017. P. 2031631.
2016
- Katin K.P., Prudkovskiy V.S., Maslov M.M. Influence of Methyl Functional Groups on the Stability of Cubane Carbon Cage // Physica E: Low-dimensional Systems and Nanostructures. 2016. V. 81. P. 1-6.
- Maslov M.M., Podlivaev A.I., Katin K.P. Nonorthogonal tight-binding model with H-C-N-O parameterisation // Molecular Simulation. 2016. V. 42. P. 305-311.
- Maslov M.M., Katin K.P. High Kinetic Stability of Hypercubane: Tight-Binding Molecular Dynamics Study // Chemical Physics Letters. 2016. V. 644. P. 280-283.
- Prudkovskiy V.S., Katin K.P., Maslov M.M., Puech P., Yakimova R., Deligeorgis G Efficient cleaning of graphene from residual lithographic polymers by ozone treatment // Carbon. 2016. V. 109. P. 221-226.
- Grishakov K.S., Katin K.P., Maslov M.M. Theoretical Studies of the Stone-Wales Defect in C36 Fullerene Embedded inside Zigzag Carbon Nanotube // Advances in Physical Chemistry. 2016. V. 2016. P. 1862959.
2015
- Shostachenko S.A., Maslov M.M., Prudkovskii V.S., Katin K.P. Thermal Stability of Hexaprismane C12H12 and Octaprismane C16H16 // Physics of the Solid State. 2015. V. 57. P. 1023-1027.
- Katin K.P., Shostachenko S.A., Avkhadieva A.I., Maslov M.M. Geometry, Energy, and Some Electronic Properties of Carbon Polyprismanes: Ab Initio and Tight-Binding Study // Advances in Physical Chemistry. 2015. V. 2015. P. 506894.
- Katin K.P., Maslov M.M. Chemical Functionalization Effects on Cubane-Based Chain Electronic Transport // Advances in Condensed Matter Physics. 2015. V. 2015. P. 754873.
2014
- Degtyarenko N.N., Katin K.P., Maslov M.M. Simulation of metastable CL-20 cluster structures // Physics of the Solid State. 2014. V. 56. P. 1467-1471.
- Maslov M.M., Openov L.A., Podlivaev A.I. On the vineyard formula for the pre-exponential factor in the Arrhenius law // Physics of the Solid State. 2014. V. 56. P. 1239-1244.
- Maslov M.M., Katin K.P. Tight-binding Molecular Dynamics Simulation of the Endohedral Complex C4H4@C60// Fullerenes, Nanotubes and Carbon Nanostructures. 2014. V. 22. P. 560-564.
- Maslov M.M., Katin K.P., Avkhadieva A.I., Podlivaev A.I. Dynamic modeling of cyclotetracubyl thermal decomposition // Russian Journal of Physical Chemistry B. 2014. V. 8. P. 152-157.
2013
- Prudkovskiy V., Berd M., Pavlenko E., Katin K., Maslov M., Puech P., Monthioux M., Escoffier W., Goiran M., Raquet B. Electronic coupling in fullerene-doped semiconducting carbon nanotubes probed by Raman spectroscopy and electronic transport // Carbon. 2013. V. 57. P. 498-506.
2012
- Openov L.A., Podlivaev A.I. Maslov M.M. Comparative kinetic stability of classical and non-classical fullerenes C46 // Physics Letters A. 2012. V. 376. P. 3146-3149.
2011
- Maslov M.M., Podlivaev A.I., Openov L.A. Thermal stability of C4+4nH8 polycubanes // Physics of the Solid State. 2011. V. 53. P. 2532-2538.
- Maslov M.M., Katin K.P. On the thermal stability of tetrahedrane: Tight-binding molecular dynamics study // Chemical Physics. 2011. V. 387. P. 66-68.
- Maslov M.M. Tight-Binding Simulation of Cubane C8H8 , Methylcubane C9H10 and Cubane-Based Nanostructures // Fullerenes, Nanotubes and Carbon Nanostructures. 2011. V. 19. P. 127-132.
- Katin K.P., Maslov M.M. Thermal stability of nitro derivatives of hydrocarbon cubane // Russian Journal of Physical Chemistry B. 2011. V. 5. P. 770-779.
- Podlivaev A.I., Katin K.P., Lobanov D.A., Openov L.A. Specific features of the stone-wales transformation in the C20 and C36 fullerenes // Physics of the Solid State. 2011. V. 53. P. 215-220.
2010
- Maslov M.M. The thermal stability of linear oligomers constructed from cubylene units // Russian Journal of Physical Chemistry B. 2010. V. 4. P. 170-174.
- Katin K.P., Lobanov D.A., Maslov M.M. Numerical simulation of Platonic hydrocarbons and fullerenes // Journal of Physics: Conference Series. 2010. V. 248. P. 012011.
- Katin K.P., Podlivaev A.I. Dynamic characteristics of the low-temperature decomposition of the C 20 fullerene // Physics of the Solid State. 2010. V. 52. P. 436-438.
- Podlivaev A.I., Katin K.P. On the dependence of the lifetime of an atomic cluster on the intensity of its heat exchange with the environment // JETP Letters. 2010. V. 92. P. 52-56.
2009
- Maslov M.M., Podlivaev A.I., Openov L.A. Nonorthogonal tight-binding model for hydrocarbons // Physics Letters A. 2009. V. 373. P. 1653-1657.
- Maslov M.M. // Russian Journal of Physical Chemistry B. 2009. V. 3. P. 211-215.
- Maslov M.M., Lobanov D.A., Podlivaev A.I., Openov L.A. Thermal stability of cubane C8H8 // Physics of the Solid State. 2009. V. 51. P. 645-648.
2008
- Maslov M.M. Theoretical modeling of the cubane-based chains, networks and bulks // Journal of Physics: Conference Series. 2008. V. 129. P. 012045.