Dr Yuri A. Mastrikov

Dr Yuri A. Mastrikov

[e-mail]

Education
09/2003-09/2008 Dr.rer.nat., (PhD) Max Planck Institute for Solid State Research,

Department of Prof. Dr. J. Maier, Stuttgart, Germany

Thesis: Ab initio modelling of oxygen reduction on the LaMnO₃ surface.
09/1999 – 05/2001 Master of Science in Electrical Engineering.

Transports and Telecommunication Institute, Riga, Latvia

Thesis: Computer simulation of electric charge collection processes in multielectrode detectors, based on the wide bandgap semiconductors.
09/1995 – 06/1999 Bachelor of Science in Electrical Engineering.

Riga Aviation University, Riga, Latvia

09/1990 – 06/1993 Lomonosov Polytechnic College, Riga, Latvia
Honors and Awards

2004. 
      “Large scale modeling of point defects in advanced perovskites”-
      

one of the five best “High Performance Computing-Europa” projects of the year.
Employment experience

2010 – now Senior Scientist, Theoretical Department, Institutute for Solid State Physics,

University of Latvia
11/2008- 12/2010 Research Scholar, Department of Materials Science and Eng. Room 2330, Chemical and Nucl. Engineering Building (Bldg 90). University of Maryland, College Park, USA
2000 – 2010 Research Assistant, Institutute for Solid State Physics,

University of Latvia

1998 – 2000 Research Assistant, Baltic Scientific Instruments Ltd.

Computer Skills

Large scale parallel calculations of the atomic and electronic structure, VASP code,

Master Certified Novell Engineer^sm
List of main publications
G.A. Kaptagay, T.M. Inerbaev, Yu.A. Mastrikov, E.A. Kotomin, and A.T. Akilbekov (2015) Water interaction with perfect and fluorine-doped Co₃O₄ (100) surface. - Solid State Ionics, 277, 77–82
A.U. Abuova, Yu.A. Mastrikov, E.A. Kotomin, Y. Kawazoe, T.M. Inerbaev, and A.T. Akilbekov (2015) First principles modeling of Ag adsorption on the LaMnO₃ (001) surfaces. - Solid State Ionics, 273, 46–50.
E.A. Kotomin, R. Merkle, Yu.A. Mastrikov, M.M. Kuklja, and J. Maier (2013) Energy Conversion: Solid Oxide Fuel Cells. First-Principles Modeling of Elementary Processes. - Chapter 6 in book: Computational Approaches to Energy Materials (eds. A.Walsch, A.Sokol, C.R.A. Catlow, Wiley), p. 149-186.

M.M. Kuklja, Yu.A. Mastrikov, B. Jansang, and E.A. Kotomin, (2013) First principles calculations of (Ba,Sr) (Co,Fe)O_3−δ structural stability. - Solid State Ionics, 230, 21–26

D. Fuks, Yu. Mastrikov, E.A. Kotomin, and J. Maier (2013) Ab initio thermodynamic study of (Ba,Sr)(Co,Fe)O₃ perovskite solid solutions for fuel cell applications. - J. Mater. Chem. A, 1, 14320–14328
M.M. Kuklja, E.A. Kotomin, R. Merkle, Yu.A. Mastrikov, and J. Maier (2013) Combined theoretical and experimental analysis of processes  determining cathode performance in solid oxide fuel cells. - Phys. Chem. Chem. Phys., 15, 5443-5471. 

Yu.A. Mastrikov, R. Merkle, E.A. Kotomin, M.M. Kuklja, and J. Maier (2013) Formation and migration of oxygen vacancies in La_1-xSr_xCo_1-yFe_yO_3-δ perovskites: insight from ab initio calculations and comparison with Ba_1-xSr_xCo_1-yFeyO_3-δ. - Phys. Chem. Chem. Phys., 15, . 911 - 918.

R. Merkle, Yu.A. Mastrikov, E.A. Kotomin, M.M. Kuklja, and J. Maier (2012) First principles calculations of oxygen vacancy formation and migration in Ba_1−xSr_xCo_1−yFe_yO_3−δ perovskites. - J. Electrochem. Soc.159, B219-B226.
M.M. Kuklja, Yu.A. Mastrikov, B. Jansang, and E.A. Kotomin (2012) The Intrinsic Defects, Disordering, and Structural Stability of Ba_xSr_1−xCo_yFe_1−yO_3−δ Perovskite Solid Solutions. - J.Phys. Chem. C,  116, 18605-18611.
L. Wang, R. Merkle, Yu.A. Mastrikov, E.A. Kotomin, and J. Maier, Oxygen exchange kinetics on solid oxide fuel cell cathode materials— general trends and their mechanistic interpretation (2012) - J. Mater. Res., 27, 2000-2008.
E.A. Kotomin, Yu.A. Mastrikov, M.M. Kuklja, R. Merkle, A. Roytburd, and J. Maier (2011) First principles calculations of oxygen vacancy formation and migration in mixed conducting Ba_0.5Sr_0.5Co_1-yFe_yO_3-δ perovskites -  Solid State Ionics, 188, 1-5.
M.M. Kuklja, Yu.A. Mastrikov, S.N. Rashkeev, and E.A. Kotomin, The structural disorder and lattice stability of (Ba,Sr)(Co,Fe)O₃ complex perovskites (2011) Electrochem. Soc. Transactions, 35, 2077-2084.
E.A. Kotomin, R. Merkle, Yu.A. Mastrikov, M.M. Kuklja, and J. Maier, First principles modeling of oxygen mobility in perovskite SOFC cathode and oxygen permeation membrane materials. (2011) Electrochem. Soc. Transactions,, 35, 823-830.
Yu.A. Mastrikov, M.M. Kuklja, E.A. Kotomin, and J. Maier, (2010) First-principles modelling of complex perovskite (Ba_1-xSr_x)(Co_1-yFe_y)O_3-d for solid oxide fuel cell and gas separation membrane applications. - Energy Environ. Sci., 3, 1544–1550.
Y A Mastrikov, R Merkle, E Heifets, E A Kotomin, J Maier (2010)  Pathways for Oxygen Incorporation in Mixed Conducting Perovskites : A DFT-Based Mechanistic Analysis for (La, Sr)MnO3−δ   The Journal of Physical Chemistry C 114: 7. 3017-3027 01  
R Merkle, Yu A Mastrikov, E Heifets, E A Kotomin, M M Kukla, J Maier (2009)  Oxygen Incorporation Reaction into Mixed Conducting Perovskites : a Mechanistic Analysis for (La,Sr)MnO3 Based on DFT Calculations   ECS Transactions 2753-2760  
E A Kotomin, Yu A Mastrikov, S N Rashkeev, P Van Uffelen (2009)  Implementing first principles calculations of defect migration in a fuel performance code for UN simulations   Journal of Nuclear Materials 393: 2. 292-299  
Yu A Mastrikov, E Heifets, E A Kotomin, J Maier (2009)  Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces   Surface Science 603: 2. 326-335  
E A Kotomin, Yu A Mastrikov, E Heifets, R Merkle, J Fleig, J Maier, A Gordon, J Felsteiner (2008)  First-Principles Modeling of LaMnO3 SOFC Cathode Material   ECS Transactions 301-306  

E A Kotomin, Yu A Mastrikov (2008)  First principles modelling of oxygen impurities in UN nuclear fuels   Journal of Nuclear Materials 377: 3. 492-495  

E A Kotomin, D Gryaznov, R W Grimes, D Parfitt, Yu F Zhukovskii, Yu A Mastrikov, P Van Uffelen, V V Rondinella, R J M Konings (2008)  First-principles modelling of radiation defects in advanced nuclear fuels   Nuclear Inst. and Methods in Physics Research, B 266: 12. 2671-2675  

Eugene A Kotomin, Yuri A Mastrikov, Eugene Heifets, Joachim Maier (2008)  Adsorption of atomic and molecular oxygen on the LaMnO3(001) surface : ab initio supercell calculations and thermodynamics.   Physical Chemistry Chemical Physics 10: 31. 4644-4649  

E A Kotomin, R W Grimes, Y Mastrikov, N J Ashley (2007)  Atomic scale DFT simulations of point defects in uranium nitride   Journal of Physics : Condensed Matter 10.  

E A Kotomin, Yu A Mastrikov, Yu F Zhukovskii, P Van Uffelen, V V Rondinella (2007)  First-principles modelling of defects in advanced nuclear fuels   Physica Status Solidi (c) 4: 3.  

E A Kotomin, Yu F Zhukovskii, Yu A Mastrikov, J Maier (2006)  First-Principles Modeling of Oxide Surfaces and Their Reactivity   Latvian Journal of Physics and Technical Sciences 2. 127-140  

J Carrasco, F Illas, N Lopez, E A Kotomin, Yu F Zhukovskii, R A Evarestov, Yu A Mastrikov, S Piskunov, J Maier (2006)  First-principles calculations of the atomic and electronic structure of F centers in the bulk and on the (001) surface of SrTiO3   Physical Review B (Condensed Matter and Materials Physics) 73: 6.  
Yu F Zhukovskii, E A Kotomin, Yu Mastrikov, J Maier (2005)  Ab initio simulations on AgCl(111) surface and AgCl(111)/alpha-Al2O3(0001) interface   Computational Materials Science 33: 1. 276-281  
E A Kotomin, R A Evarestov, Yu A Mastrikov, J Maier (2005)  DFT plane wave calculations of the atomic and electronic structure of LaMnO3(001) surface   Physical Chemistry Chemical Physics 7: 11. 2346-2350  
R A Evarestov, E A Kotomin, Yu A Mastrikov, D Gryaznov, E Heifets, J Maier (2005)  Comparative density-functional LCAO and plane-wave calculations of LaMn O3 surfaces   Physical Review B 72: 21. 12