alexanderkvashnin



Personal Websites

Alexander Kvashnin

Senior Research Scientist
Center for Electrochemical Energy Storage

Professor:  Artem R. Oganov

Recent projects:

Computational search for novel materials with high values of hardness, in combination with ductility. Characterization of these materials in terms of crystal structure, electronic structure, and physical properties using modern quantum chemical and molecular dynamics methods.

Alexander received Bachelor’s degree in Condensed Matter Physics from the Siberian Federal University of Krasnoyarsk in 2010.

Alexander then entered the Master’s program at the Moscow Institute of Physics and Technology (MIPT). Since that time he has been also working at the Technological Institute for Superhard and Novel Carbon Materials as a Junior Research Scientist under the guidance of Prof. Pavel Sorokin.

In 2012, he received his Master’s degree in Applied Mathematics and Physics from MIPT and became a PhD student of the same university. Alexander investigated stability and physical properties of quasi-two-dimensional nanostructures of various compounds using first-principle methods.

In March 2016 Alexander received Candidate of Sciences (Ph.D. equivalent) degree in condensed matter physics. The defense was held in NUST “MIS&S”. The thesis title is “Features of the formation of quasi-two-dimensional nanostructures and their physical properties”

H-index: 7 (WoS), 8 (Scopus), 9 (Google Scholar)

Citations: 828 (WoS), 1056 (Scopus), 1344 (Google Scholar)

Employment:
Trainee researcher, Technological Institute for Superhard and Novel Carbon Materials, 2010-2012
System administrator of cluster, Technological Institute for Superhard and Novel Carbon Materials, 2010-2015
Junior Research Scientist, Technological Institute for Superhard and Novel Carbon Materials, 2013-2015
Junior Research Scientist, Emanuel Institute of Biochemical Physics RAS, since 2013 (part-time)
Internships:
Rice University, Group of Prof. Boris Yakobson, 2011, 2013
University of Namur, Group of Prof. Philippe Lambin, 2015

Computational search for novel materials with high values of hardness, in combination with ductility. Characterization of these materials in terms of crystal structure, electronic structure, and physical properties using modern quantum chemical and molecular dynamics methods.

  1. P.B Sorokin, P.V. Avramov, A.G. Kvashnin, D.G. Kvashnin, S.G. Ovchinnikov. Density functional study of <110> oriented thin silicon nanowires. Phys. Rev. B 77, 235417 (2008) (DOI:10.1103/PhysRevB.77.235417).
  2. L.A. Chernozatonskii, P.B. Sorokin, A.G. Kvashnin and D.G. Kvashnin, Diamond-like C2H nanolayer, diamane: Simulation of the structure and properties. JETP Letters, 90 2 pp. 134-138 (2009) (DOI:10.1134/S0021364009140112).
  3. A.G. Kvashnin, P.B. Sorokin, D.G. Kvashnin, Theoretical Investigation of Mechanical Properties of Graphene Membranes by Means of Molecular Mechanics, Journal of Siberian Federal University. Mathematics & Physics, 2(4), pp. 426-431 (2009) (in Russian).
  4. P.B. Sorokin, D.G. Kvashnin, A.G. Kvashnin, P.V. Avramov, L.A. Chernozatonskii, Theoretical Study of Elastic Properties of SiC Nanowires of Different Shapes, J. Nanosci. Nanotechnol. 10, 4992-4997 (2010), (DOI: 10.1166/jnn.2010.2424).
  5. P. B. Sorokin, A. G. Kvashnin, D. G. Kvashnin, J. A. Filicheva, P. V. Avramov, A. S. Fedorov and L. A. Chernozatonskii, Theoretical Study of Atomic Structure and Elastic Properties of Branched Silicon Nanowires, ACS Nano, 4, N5, 2784-2790 (2010), (DOI: 10.1021/nn9018027).
  6. L. Song, L. Ci, H. Lu, P.B. Sorokin, C. Jin, J. Ni, A.G. Kvashnin, D.G. Kvashnin, J. Lou, B.I. Yakobson, P.M. Ajayan, Large Scale Growth and Characterization of Atomic Hexagonal Boron Nitride Layers, Nano Letters, 10 (8), 3209-3215, (2010) (DOI:10.1021/nl1022139).
  7. A.G. Kvashnin, P.B. Sorokin, D.G. Kvashnin, The Theoretical Study of Mechanical Properties of Graphene Membranes, Fullerenes, Nanotubes and Carbon Nanostructures, 18, 4-6, 497-500, (2010) (DOI:10.1080/1536383X.2010.488160).
  8. L.A. Chernozatonskii, P.B. Sorokin, A.A. Kuzubov, B.P. Sorokin, A.G. Kvashnin, D.G. Kvashnin, P.V. Avramov, B.I. Yakobson, Influence of Size Effect on the Electronic and Elastic Properties of Diamond Films with Nanometer Thickness, J. Phys. Chem. C., 115 (1), pp 132–136, (2011) (DOI: 10.1021/jp1080687).
  9. A.G. Kvashnin, P.B. Sorokin, Study of Phase Transitions Features in Ultrathin Diamonds, News of higher educational institutions, Chemistry and chemical technology, 55 (6), p. 4–7 (2012) (in Russian).
  10. L.A. Chernozatonskii, D.G. Kvashnin, P.B. Sorokin, A.G. Kvashnin, J.W. Brüning, Strong Influence of Graphene Island Configurations on the Electronic Properties of a Mixed Graphene/Graphane Superlattice, J. Phys. Chem. C., 116 (37), 20035-20039 (2012) (DOI: 10.1021/jp304596y).
  11. A.G. Kvashnin, Yu.A. Kvashnina, L.Yu. Antipina, P.B. Sorokin, Pressure and temperature dependence of the “multilayered graphene – ultrathin diamond film” phase transition upon the thickness, Natural and Technical Sciences, 6, 43-44 (2012) (in Russian).
  12. Yu.A. Kvashnina, A.G. Kvashnin, L.Yu. Antipina, T.P. Sorokina, P.B. Sorokin, Investigations of mechanical and electronic properties of new carbon allotropes, News of higher educational institutions, Chemistry and chemical technology, 56 (7), p. 30–33 (2013). (in Russian)
  13. Yu.A. Kvashnina, A.G. Kvashnin, P.B. Sorokin, Investigation of new superhard carbon allotropes with promising electronic properties, J. Appl. Phys. 114, 183708 (2013) (DOI: 10.1063/1.4829002)
  14. A.G. Kvashnin, P.B. Sorokin, Lonsdaleite Films with Nanometer Thickness, J. Phys. Chem. Lett., 5, pp 541–548 (2014) (DOI: 10.1021/jz402528q).
  15. A.G. Kvashnin, L.A. Chernozatonskii, B.I. Yakobson, P.B. Sorokin, Phase Diagram of Quasi-Two-Dimensional Carbon, From Graphene to Diamond, Nano Lett., 14 (2), pp 676–681 (2014) (DOI: 10.1021/nl403938g).
  16. Y. Sun, A.G. Kvashnin, P.B. Sorokin, B.I. Yakobson, W.E. Billups, Radiation-Induced Nucleation of Diamond from Amorphous Carbon: Effect of Hydrogen, J. Phys. Chem. Lett. 5, pp. 1924−1928 (2014) (DOI: 10.1021/jz5007912).
  17. A.G. Kvashnin, P.B. Sorokin, D. Tománek, Graphitic phase of NaCl. Bulk properties and nanoscale stability, J. Phys. Chem. Lett., 5, pp. 4014−4019 (2014) (DOI: 10.1021/jz502046f).
  18. P.B. Sorokin, A.G. Kvashnin, Z. Zhu, D. Tománek, Spontaneous Graphitization of Ultrathin Cubic Structures: A Computational Study, Nano Letters, 14, 7126-7130 (2014) (DOI: 10.1021/nl503673q).
  19. A.G. Kvashnin, Yu.A. Kvashnina, L.Yu. Antipina, O.P. Kvashnina, T.P. Sorokina, P.B. Sorokin, Phase transitions in quasi-two-dimensional carbon materials, News of higher educational institutions, Chemistry and chemical technology, 57(5), p. 71-74 (2014) (in Russian).
  20. A.G. Kvashnin, O.P. Kvashnina, D.G. Kvashnin, Hydrogen adsorption study. Formation of quantumdots on graphene nanoribbons within tight- binding approach, Nanotechnology, 26, 175704-175708 (2015) (DOI: 10.1088/0957-4484/26/17/175704).
  21. Yu.A.  Kvashnina,  A.G.  Kvashnin,  M.Yu. Popov, B.A. Kulnitskiy, I.A. Perezhogin,  E.V.  Tyukalova,  L.A.  Chernozatonskii, P.B. Sorokin and V.D.   Blank,   Toward   the  Ultra-incompressible  Carbon  Materials. Computational     Simulation     and    Experimental     Observation, J. Phys. Chem. Lett. 6, 2147–2152 (2015) (DOI: 10.1021/acs.jpclett.5b00748).
  22. A.G.  Kvashnin,  P.B. Sorokin, B.I. Yakobson,  Flexoelectricity in Carbon Nanostructures: Nanotubes, Fullerenes, and Nanocones, J. Phys. Chem. Lett. 6, 2740–2744 (2015) (DOI: 10.1021/acs.jpclett.5b01041).
  23. A.G. Kvashnin, O.P. Kvashnina, T.P. Sorokina, P.B. Sorokin, W.E. Billups, Modeling a phase transition of amorphous carbon to diamond induced with ionizing radiation, News of higher educational institutions, Chemistry and chemical technology, 58(5), p. 22-24 (2015) (in Russian).
  24. Yu.A. Kvashnina, A.G. Kvashnin, T.P. Sorokina, O.P. Kvashnina, P.B. Sorokin, Model of ultrahard fullerite. Theoretical investigation, News of higher educational institutions, Chemistry and chemical technology, 58(5), p. 19-21 (2015) (in Russian).
  25. A.G. Kvashnin, D.G. Kvashnin, O.P. Kvashnina, L.A. Chernozatonskii, Transport investigation of branched graphene nanoflakes, Nanotechnology, 26, 385705-385711 (2015) (DOI: 10.1088/0957-4484/26/38/385705).
  26. A.G. Kvashnin, E.Y. Pashkin, B.I. Yakobson, P.B. Sorokin, Ionic Graphitization of Ultrathin Films of Ionic Compounds, J. Phys. Chem. Lett. 7, 2659−2663 (2016) (DOI: 10.1021/acs.jpclett.6b01214)
  27. L.A. Chernozatonskii, A.G. Kvashnin, P.B. Sorokin, Heterostructures based on graphene and MoS2 layers decorated by C60 fullerenes, Nanotechnology, 27, 365201-365206 (2016) (DOI: 10.1088/0957-4484/27/36/365201)
  28. L.Yu. Antipina, A.G. Kvashnin, P.B. Sorokin, L.A. Chernozatonskii, The possible formation of magnetic FeS2 phase in two-dimensional MoS2 matrix, Phys. Chem. Chem. Phys., 18, 26956-26959 (2016) (DOI: 10.1039/C6CP05065D)
  29. Yu.A. Kvashnina, A.G. Kvashnin, L.A. Chernozatonskii, P.B. Sorokin, Fullerite-based nanocomposites with ultrahigh stiffness. Theoretical investigation, Carbon, 115, 546–549 (2017) (DOI: 10.1016/j.carbon.2017.01.028)
  30. D.G. Kvashnin, O.P. Kvashnina, P.V. Avramov, P.B. Sorokin, A.G. Kvashnin, Novel hybrid C/BN two-dimensional heterostructures, Nanotechnology, 28, 085205 (2017) (DOI: 10.1088/1361-6528/aa55e9)
  31. A.G. Kvashnin, P.V. Avramov, S. Sakai, Yu.S. Nechaev, P.B. Sorokin, Estimation of graphene surface stability against the adsorption of environmental and technological chemical agents, Phys. Stat. Sol. B., (2017)
  32. A.G. Kvashnin, A.R. Oganov, A.I. Samtsevich, Z. Allahyari, Computational Search for Novel Hard Chromium-Based Materials, J. Phys. Chem. Lett., 8, 755-764 (2017) (DOI: 10.1021/acs.jpclett.6b02821)
  33. Yu.A. Kvashnina, D.G. Kvashnin, A.G. Kvashnin, PB. Sorokin, New carbon allotropes based on C60 and C20 fullerenes with unique mechanical characteristics, JETP Letters, 105, 7, 419-425 (2017)
  34. H.A. Zakaryan, A.G. Kvashnin, A.O. Oganov, Stable reconstruction of the (110) surface and its role in pseudocapacitance of rutile-like RuO2, Sci. Rep., 7, 10357 (2017) (DOI: 10.1038/s41598-017-10331-z)
  35. A.G. Kvashnin, P.B. Sorokin, L.A. Chernozatonskii, Layered heterostructures based on graphene, hexagonal zinc oxide and molybdenum disulfide: Modeling of geometry and electronic properties, Comp. Mat. Sci., 142, 32-37 (2018) (DOI: 10.1016/j.commatsci.2017.09.040)
  36. A.G. Kvashnin, I.A. Kruglov, D.V. Semenok, A.R. Oganov, Iron Superhydrides FeH5 and FeH6: Stability, Electronic Properties, and Superconductivity, J. Phys. Chem. C, 122 (8), pp 4731–4736 (2018) (DOI: 10.1021/acs.jpcc.8b01270)
  37. D.V. Semenok, A.G. Kvashnin, I.A. Kruglov, A.R. Oganov, Actinium Hydrides AcH10, AcH12, AcH16 as High-Temperature Conventional Superconductors, J. Phys. Chem. Lett. Accepted (2018) (DOI: 10.1021/acs.jpclett.8b00615)

Candidate of Sciences degree in condensed matter physics, Moscow Institute of Physics and Technology, 2016

M.Sc. in Applied Physics and Mathematics, Moscow Institute of Physics and Technology, 2012

B.Sc. in Physics, Siberian Federal University, Krasnoyarsk, 2010

Cources and Workshops

  • 25.01.2009-05.02.2009 VII Winter School of Theoretical Physics «Introduction in the Theory of Nanostructures», Laboratory of Theoretical Physics of Joint Institute for Nuclear Research (LTP JINR), Dubna, Russia
  • 28.06.2009-04.07.2009 European Summer University “The Secrets of the Atomic Nucleus”, UFR de Physique et ingénierie, Strasburg, France
  • 10.08.2009-20.08.2009 Summer School “Physics of elementary particles on the threshold of LHC”, Protvino, Russia
  • 13.01.2011-15.01.2011 15th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, The Abdus Salam International Center for Theoretical Physics (ICTP), Trieste, Italy
  • 17.01.2011-21.01.2011 Hands-on Tutorial on Electronic Structure Computations, The Abdus Salam International Center for Theoretical Physics (ICTP), Trieste, Italy
  • 05.03.2012-16.03.2012 43rd IFF Spring School “Scattering Methods for ”Condensed Matter Research: Towards Novel Applications at Future Sources”, Forschungszentrum Jülich, Germany
  • 25.06.2012-07.07.2012 Summer Supercomputer Academy, MSU, Moscow, Russia
  • 08.04.2013-12.04.2013 Yambo hands-on tutorial on electronic and optical excitations: from basic to advanced applications, CECAM-HQ-EPFL, Lausanne, Switzerland
  • 24.08.2014-05.09.2014 5th International Summer School on MODERN COMPUTATIONAL SCIENCE, Computational Quantum Chemistry, University of Oldenburg, Oldenburg, Germany (earned 4 ECTS credit points)
  • 06.10.2014-11.10.2014 Workshop Particle-based Simulations for Hard and Soft Matter, Institute for Computational Physics, University of Stuttgart, Germany

Current projects

  • (2017-2020) Russian Science Foundation project № 17073-20038. Computational materials design of new materials with optimal hardness and fracture toughness (head of the project)
  • (2016-2018) Russian Science Foundation project № 16-13-10459. New methods for search of materials with optimal properties.

Past projects

  • (2015-2016) Skoltech Translational Research and Innovation Program. Low-k materials design
  • (2014-2016) Russian Science Foundation project № 14-12-01217. Simulations of structure and properties of new multylayered nanomaterials based on TMDs and BN-graphene layered structures
  • (2012-2015) Russian Foundation of Basic Research program № 12-02-31261. Investigation of features of electronic, elastic and mechanical properties of materials based on diamond clusters with nanometer size
  • (2012-2014) Research project of Federal Target program № 14.В37.21.1645. Investigation of fabrication ways and properties of single-crystal diamond film with nanometer thickness
  • (2008) The grant of Siberian Federal University (SFU) “Competition of youth research projects (SFU) 2008” for the project “Investigation of low-dimensional nanostructures using quantum-chemical methods of calculations”

 

  • (2009) Award for young talents of the Mayor of Krasnoyarsk for outstanding achievements in scientific and educational activity
  • (2009-2010) Scholarship of the President of Russian federation for students
  • (2010-2011) L.V. Kirensky’s scholarship for achievements in the field of Mathematical and Physical Sciences
  • (2010-2012) Scholarship of non-profit programs “Dynasty”
  • (2011-2012) MIPT’s increased scholarship for achievements in scientific research
  • (2013-2015) Scholarship of President of Russian Federation for young scientists and PhD students (competition SP-2013)
  • (2014-2015) Scholarship of President of Russia for PhD students  (№ 1434, November 10, 2014)