2013

  1. D. Fuks, Yu. Mastrikov, E.A. Kotomin, and J. Maier, Ab initio thermodynamic study of (Ba,Sr)(Co,Fe)O3 perovskite solid solutions for fuel cell applications. - J. Mater. Chem. A, 2013, 1, p. 14320–14328. pdf (Impact Factor = 6.101)

  2. E. Blokhin, R.A. Evarestov, D. Gryaznov, E.A. Kotomin, and J. Maier, Theoretical modeling of antiferrodistortive phase transition for SrTiO3 ultrathin films. - Phys. Rev. B, 2013, 88, 241407(R) (p. 1-4). pdf (IF Rapid Communication = 5.3)

  3. Yu.F. Zhukovskii, S. Piskunov, J. Kazerovskis, D.V. Makaev, and P.N. D'yachkov, Comparative theoretical analysis of BN nanotubes doped with Al, P, Ga, As, In, and Sb.- J. Phys. Chem. C, 2013, 117, p. 14235−14240. pdf (IF = 4.814)

  4. D. Gryaznov, E. Blokhin, A. Sorokin, E.A. Kotomin, R.A. Evarestov, A. Bussmann-Holder, and J. Maier, A comparative ab initio thermodynamic study of oxygen vacancies in ZnO and SrTiO3: emphasis on phonon contribution. - J. Phys. Chem. C, 2013, 117, p. 13776−13784. pdf (IF = 4.814)

  5. M.M. Kuklja, E.A. Kotomin, R. Merkle, Yu.A. Mastrikov, and J. Maier, Combined theoretical and experimental analysis of processes  determining cathode performance in solid oxide fuel cells. - Phys. Chem. Chem. Phys., 2013, 15, p. 5443-5471. pdf (IF = 3.829)

  6. Yu.A. Mastrikov, R. Merkle, E.A. Kotomin, M.M. Kuklja, and J. Maier, Formation and migration of oxygen vacancies in La1-xSrxCo1-yFeyO3-δ perovskites: insight from ab initio calculations and comparison with Ba1-xSrxCo1-yFeyO3-δ. - Phys. Chem. Chem. Phys., 2013, 15, p. 911 - 918. pdf (IF = 3.829)

  7. E. Blokhin, E.A. Kotomin, A. Kuzmin, J. Purans, R.A. Evarestov, and J. Maier, Theoretical modeling of the complexes of iron impurities and oxygen vacancies in SrTiO3. - Appl. Phys. Lett., 2013, 102, 112913 (p. 1-5). pdf (IF = 3.794)

  8. O. Dumbrajs and G.S. Nusinovich, Effect of electron beam misalignments on the gyrotron efficiency. - Phys. Plasmas, 2013, 20, 073105 (p.1-6). pdf (IF = 2.376)

  9. J. Kazerovskis, S. Piskunov, Yu.F. Zhukovskii, P.N. D'yachkov, and S. Bellucci, Formation of linear Ni nanochains inside carbon nanotubes: Prediction from density functional theory. - Chem. Phys. Lett., 2013, 577, p. 92-95. pdf (IF = 2.145)

  10. A. Weizman, D. Fuks, E.A. Kotomin, and D. Gryaznov, Ab initio study of phase competition in (La1−c,Src)CoO3 solid solutions. - Solid State Ionics, 2013, 230, p. 32–36. pdf (IF = 2.046)

  11. M.M. Kuklja, Yu.A. Mastrikov, B. Jansang, and E.A. Kotomin, First principles calculations of (Ba,Sr)(Co,Fe)O3−δ structural stability. - Solid State Ionics, 2013, 230, p. 21–26. pdf (IF = 2.046)

  12. R.I. Eglitis, Ab initio calculations of the atomic and electronic structure of BaZrO3(111) surfaces. - Solid State Ionics, 2013, 230, p. 43-47. pdf (IF = 2.046)

  13. H. Shi, L. Chang, R. Jia, and R.I. Eglitis, Ab initio calculations for the F-center transfer and R centers in SrF2. - Comput. Mater. Sci., 2013, 79, p. 527-533. pdf (IF = 1.878)

  14. R. Jia, Z. Yi, C. Liu, H. Shi, H. Zhang, and R.I. Eglitis, First principles studies of the self trapped hole and the fluorine adsorption on the SrF2 (111) surface. - Comput. Mater. Sci., 2013, 73, p. 9-14. pdf (IF = 1.878)

  15. R.A. Evarestov and Yu.F. Zhukovskii, Four-faceted nanowires generated from densely-packed TiO2 rutile surfaces: Ab initio calculations. - Surf. Sci., 2013, 608, p. 226–240. pdf (IF = 1.838)

  16. Yu.F. Zhukovskii, S. Piskunov, J. Begens, J. Kazerovskis, and O. Lisovski, First-principles calculations of point defects in inorganic nanotubes. - Phys. Status Solidi B, 2013, 250, p. 793-800. pdf (IF= 1.489)

  17. D. Fuks, A. Weizman, and E.A. Kotomin, Phase competition in (La1-c, Src) CoO3 solid solutions: ab initio thermodynamic study. - Phys. Status Solidi B, 2013, 250, p. 864-869. pdf (IF= 1.489)

  18. I. Karbovnyk, V. Lesivtsiv, I. Bolesta, S. Velgosh, I. Rovetsky, V. Pankratov, C. Balasubramanian, and A.I. Popov, BiI3 nanoclusters in melt-grown CdI2 crystals studied by optical absorption spectroscopy. - Physica B, 2013, 413, p. 12–14. pdf (IF = 1.327)

  19. A.I. Popov, L. Shirmane, V. Pankratov, A. Lushchik, A. Kotlov, V.E. Serga, L.D. Kulikova, G. Chikvaidze, and J. Zimmermann, Comparative study of the luminescence properties of macro- and nanocrystalline MgO using synchrotron radiation. - Nucl. Instr. Meth. B, 2013, 310, p. 23-26. pdf (IF = 1.266)

  20. D. Bocharov, D. Gryaznov, Yu.F. Zhukovskii, and E.A. Kotomin, Ab initio simulations of oxygen interaction with surfaces and interfaces in uranium mononitride. - J. Nucl. Mater., 2013, 435, p. 102–106. pdf (IF = 1.211)

  21. R.I. Eglitis, Ab initio calculations of BaTiO3(111) surfaces. - Phase Transitions, 2013, 86, p. 1115-1120. pdf (IF = 1.010)

  22. V. Pankratov, A.I. Popov, L. Shirmane, A. Kotlov, G.A. Bizarri, A. Burger, P. Bhattacharya, E. Tupitsyn, E. Rowe, V.M. Buliga, and R.T. Williams, Luminescence and ultraviolet excitation spectroscopy of SrI2 and SrI2:Eu2+. - Radiat. Meas., 2013, 56, p. 13-17. pdf (IF = 0.861)

  23. E. Klotins and G. Zvejnieks, Quantum chemical study of electron-phonon interaction in crystals. - Phys. Status Solidi C, 2013, 10, p. 705–708. pdf (IF = 0.550)

  24. A. Dauletbekova, F. Abuova, A. Akilbekov, E.A. Kotomin, and S. Piskunov, First-principles modeling of the H color centers in MgF2 crystals. - Phys. Status Solidi C, 2013, 10, p. 160–164. pdf (IF = 0.550)

  25. A. Usseinov, E.A. Kotomin, Yu.F. Zhukovskii, J. Purans, A. Sorokin, and A.T. Akilbekov, Atomic and electronic structure of hydrogen on ZnO (1100) surface: ab initio hybrid calculations. - IOP Conf. Series: Mater. Sci. Engineering, 2013, 49, 012054 (p. 1-4). pdf

Chapters in Scientific Books

  1. E.A. Kotomin, R. Merkle, Yu.A. Mastrikov, M.M. Kuklja, and J. Maier, 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), 2013, p. 149-186. pdf

Non-SCI Publications

  1. O. Dumbrajs, Žirotrons - megavatu mikroviļņu avots kodolplazmas uzkarsēšanai. - Enerģija un pasaule, 2013, 2, p. 74-78. pdf

  2. S. Piskunov, J. Kazerovskis, Yu.F. Zhukovskii, P.N. Dyachkov, and S. Bellucci, Incorporation of Ni nanofilament inside carbon nanotubes: DFT calculations. - Proc. Internat. Conf. „Physics, Chemistry and Application of Nanostructures (Nanomeeting-2013, Minsk, Belarus)” (Eds. V.E. Borisenko, S.V. Gaponenko, V.S. Gurin, and C.H. Kam; World Scientific, New Jersey, London, Singapore), 2013, p. 139-142. pdf

  3. Yu.N. Shunin, V.I. Gopeyenko, N. Burlutskaya, T. Lobanova-Shunina, and S. Bellucci, Electromagnetic properties of CNTs and GNRs based nanostructures for nanosensor systems. - Proc. Internat. Conf. „Physics, Chemistry and Application of Nanostructures (Nanomeeting-2013, Minsk, Belarus)” (Eds. V.E. Borisenko, S.V. Gaponenko, V.S. Gurin, and C.H. Kam; World Scientific, New Jersey, London, Singapore), 2013, p. 250-253. pdf

  4. Yu.F. Zhukovskii, S. Piskunov, O. Lisovski, and J. Begens, First principles simulations on doped TiO2 and SrTiO3 nanotubular photocatalysts for water-splitting hydrogen generation. - Proc. Internat. Conf. „Physics, Chemistry and Application of Nanostructures (Nanomeeting-2013, Minsk, Belarus)” (Eds. V.E. Borisenko, S.V. Gaponenko, V.S. Gurin, and C.H. Kam; World Scientific, New Jersey, London, Singapore), 2013, p. 513-516. pdf