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Для сотрудников ФИЦ ПХФ и МХ
Zyubin Alexander
Scientific achievements- Simulation of the volume and surface of solids using the cluster approximation and periodic boundary conditions in the framework of the density functional method with the gradient correction taken into account.
- Quantum-chemical simulation of the electrotransport properties of systems with ion charge transfer.
- Search for new electrode materials for lithium-ion batteries.
- Quantum-chemical modeling of elementary catalytic acts on the surface of composite catalysts.
The most significant publications:
1. A.S. Zyubin, A.M. Mebel, M.Hayashi, H.C. Chang, S.H. Lin. Quantum chemical modeling of photo-adsorption properties of the nitrogen-vacancy point defect in diamond. JOURNAL OF COMPUTATIONAL CHEMISTRY. 2009, V.30, # 1, P. 119-131. Impact factor:3.221
2. A.S. Zyubin, A.M. Mebel, M.Hayashi, H.C. Chang, S.H. Lin. Quantum chemical modeling of photo-absorption properties of the two- and three-nitrogen-vacancy point defects in diamond. //JOURNAL OF PHYSICAL CHEMISTRY C. 2009, V.113, # 24, P.10432-10440. Импакт-фактор журнала: 4,835
3. A.S. Zyubin, A.M. Mebel, S.H. Lin. Photoluminescence of oxygen-deficient defects in germanium oxides: A quantum chemical study. J.Chem.Phys., 2006, V. 125, N 6, p.4701-4709.Five-Year Impact Factor 2.743
4. A.S. Zyubin, A.M. Mebel, S.H. Lin. Optical properties of oxygen vacancies in germanium oxides: Quantum chemical modeling of photoexcitation and photoluminescence. J.Phys.Chem. A 2007, V. 111, No. 38, p. 9479-9485. Импакт-фактор журнала: 2,775
5. Т.С. Зюбина, А.С. Зюбин, Ю.А. Добровольский, В.М. Волохов, Р.В. Писарев, А.В. Писарева, Л. В. Шмыглева / . Моделирование электрокатализаторов для топливных элементов на основе кластеров платины и протонпроводящих мембран на основе сульфокислот. // ЭЛЕКТРОХИМИЯ, 2013, том 49, № 8, с. 878–884. Импакт-фактор журнала: 0,66
6. T.S. Zyubina, A.V. Pisareva, Yu.A. Dobrovol’skii, G.A. Pokatovich, I.S. Irgibaeva, S.H. Lin, A.M. Mebel. Modeling the hydration and proton transport in solid electrolytes based on phenolsulfonic acids. Russian Journal of Electrochemistry, 2007, Vol. 43, No. 5, pp. 502–512. Импакт-фактор журнала: 0,66
Scientific Departments
- Institute of Physiologically Active Compounds
- Department of Combustion and Explosion
- Department of Kinetics and Catalysis
- Laboratory of Synthesis of Organic Polyfunctional Materials
- Laboratory of EPR-Spectroscopy of Macromolecules
- Laboratory of Electrochemical Dynamics and Electrolytic Systems
- Laboratory of Molecular Spectroscopy
- Laboratory of Radical Liquid-Phase Reactions
- Laboratory of Complex Catalysts
- Laboratory of Functional Materials for Electronics and Medicine
- Group of Kinetics of Cluster Processes
- Department of Polymers and Composite Materials
- Chemical Engineering Department
- Laboratory of Catalytic Synthesis of Organic Compounds
- Laboratory of Petrochemical Processes
- Laboratory of Physico-Chemical engineering of composite materials
- Laboratory of Gas Chemistry Processes
- Group of Heterogeneous Catalysis Engineering
- Group of Business and Techno-economic Research
- Multiple-access Center “New Petrochemical Processes, Polymer Composites and Adhesives”
- Department of Extreme States of Matter
- Laboratory of Computational Fluid Dynamics
- High Dynamic Pressures Laboratory
- Laboratory of Thermal Properties of Dense Plasma
- Laboratory of Experimental Thermal Physics
- Laboratory of Detonation
- Laboratory of Matter State Equations
- Laboratory of Rheological Properties of Condensed Media upon Impulse Impacts
- Laboratory of Electromagnetic Processes in Shock-Compressed Media
- Group of Chemistry of Impulse Impacts
- Group of Chemical Physics of low temperatures
- Department of Structure of Matter
- Laboratory of Structural Chemistry
- Laboratory of Cryochemistry and Radiation Chemistry
- Laboratory of Kinetic ESR and Molecular Spectroscopy
- Laboratory of Molecular Conductors and Magnets
- Joint Laboratory of Photodynamics of Nanobiostructures
- Group of the Mössbauer spectroscopy and magnetochemistry
- Group of magnetic and spin logical processes and devices
- Radiation Exposure Group "Gammatok-100"
- Department of Nanophotonics
- Department of Functional Materials for Chemical Energy Sources
- Laboratory of Superionics
- Complex of Laboratories for Hydrogen Materials Science
- Laboratory of Materials Engineering for Solid State Devices
- Laboratory of Laser Electrochemistry
- Laboratory of Solid-State Electrochemical Systems
- Laboratory of Electrode Processes in Liquid Systems
- Group of Special Materials
- Department of Kinetics of Chemical and Biological Processes
- Laboratory of Chemical Physics of Ferments
- Laboratory of Molecular Biology
- Laboratory of Kinetic Modeling
- Laboratory of Biologically Active Compounds
- Laboratory of Physico-Chemical Biology of Physiologically Active Compounds
- Group of Stable Radicals
- Group of Free Radical Processes in Biosystems
- Group of Molecular Modeling of Biochemical Processes
- Screening and Preclinical Studies Unit
- Theoretical Department
- Research Center of Nanostructured Materials for Energy Conversion and Storage
- Competence Center of National Technology Initiative