2012

  1. M.M. Kuklja, Yu.A. Mastrikov, B. Jansang, and E.A. Kotomin, The Intrinsic Defects, Disordering, and Structural Stability of
    BaxSr1−xCoyFe1−yO3−δ Perovskite Solid Solutions. - J.Phys.Chem. C, 2012, 116, p. 18605-18611. pdf (Impact Factor (IF) = 4.805)

  2. R.A. Evarestov, D.B. Migas, and Yu.F. Zhukovskii, Symmetry and stability of the rutile-based TiO2 nanowires: models and comparative LCAO-plane wave DFT calculations. - J. Phys. Chem. C, 2012, 116, p. 13395–13402. pdf (IF = 4.805)

  3. H. Shi, L. Chang, R. Jia, and R.I. Eglitis, Ab initio calculations of hydroxyl impurities in CaF2. - J. Phys. Chem. C, 2012, 116, p. 6392-6400. pdf (IF = 4.805)

  4. H. Shi, L. Chang, R. Jia, and R.I. Eglitis, Ab initio calculations of the transfer and aggregation of F centers in CaF2. - J. Phys. Chem. C, 2012, 116, p. 4832-4839. pdf (IF = 4.805)

  5. A. Sorokine, D. Bocharov, S. Piskunov, and V. Kashcheyevs, Electronic charge redistribution in LaAlO3(001) thin films deposited at SrTiO3(001) substrate: First-principles analysis and the role of stoichiometry. - Phys. Rev. B, 2012, 86, 155410 (p. 1-10). pdf (IF = 3.774)

  6. R.A. Evarestov, E. Blokhin, D. Gryaznov, E.A. Kotomin, R. Merkle, and J. Maier, Jahn-Teller effect in the phonon properties of defective SrTiO3 from first principles. - Phys. Rev. B, 2012, 85, 175303 (p.1-5). pdf (IF = 3.774)

  7. D. Gryaznov, E. Heifets, and E.A. Kotomin, The first-principles treatment of the electron-correlation and spin–orbital effects in uranium mononitride nuclear fuels. - Phys. Chem. Chem. Phys., 2012, 14, p. 4482–4490. pdf (IF = 3.573)

  8. J.R. Kalnin and E.A. Kotomin, Note: Effective diffusion coefficient in heterogeneous media. - J. Chem. Phys., 2012, 137, 166101 (p. 1-2). pdf (IF = 2.921)

  9. E. Blokhin, E.A. Kotomin, and J. Maier, First-principles phonon calculations of Fe4+ impurity in SrTiO3. - J. Phys.: Condens. Matter, 2012, 24, 104024 (p. 1-4). pdf (IF = 2.546)

  10. O. Dumbrajs and G.S. Nusinovich, On optimization of sub-THz gyrotron parameters. -  Phys. Plasmas, 2012, 19, 103112 (p. 1-6). pdf (IF = 2.320)

  11. O. Dumbrajs, G.S. Nusinovich, and T.M. Antonsen, Regions of azimuthal instability in gyrotrons. - Phys. Plasmas, 2012, 19, 063103 (p. 1-7). pdf (IF = 2.320)

  12. P. Savchyn, I. Karbovnyk, V. Vistovskyy, A. Voloshinovskii, V. Pankratov, M. Cestelli Guidi, C. Mirri, O. Myahkota, A. Riabtseva, N. Mitina, A. Zaichenko, and A.I. Popov, Vibrational properties of LaPO4 nanoparticles in mid- and far-infrared domain. - J. Appl. Phys., 2012, 112, 124309 (p. 1-6). pdf (IF = 2.079)

  13. Yu.N. Shunin, Yu.F. Zhukovskii, V.I. Gopeyenko, N. Burlutskaya, T. Lobanova-Shunina, and S. Bellucci, Simulation of electromagnetic properties in carbon nanotubes and graphene-based nanostructures. - J. Nanophotonics, 2012, 6, 061706 (p. 1-16). pdf (IF = 1.570)

  14. H. Shi, R. Jia, and R.I. Eglitis, First-principles calculations on surface hydroxyl impurities in BaF2 - Comput. Mater. Sci., 2012, 53, p. 220–225. pdf (IF = 1.460)

  15. 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. - J. Mater. Res., 2012, 27, p. 2000-2008. pdf (IF = 1.434)

  16. O. Dumbrajs, T. Idehara, T. Saito, and Y. Tatematsu, Calculations of starting currents and frequencies in frequency-tunable gyrotrons. - Jpn. J. Appl. Phys., 2012, 51, 126601 (p. 1-5). pdf (IF = 1.058)

  17. Yu.N. Shunin, Yu.F. Zhukovskii, N. Burlutskaya, and S. Bellucci, CNT-metal interconnects: Electronic structure calculations and resistivity simulations. - J. Nanoelectronics & Optoelectronics, 2012, 7, N 1, p. 3–11. pdf (IF =0.9)

  18. O. Dumbrajs and T. Idehara, Analysis of aftercavity interaction in European ITER gyrotrons and in the compact Sub-THz gyrotron FU CW-CI. - J. Infrared Milli. Terahz. Waves, 2012, 33, p. 1171–1181. pdf (IF = 0.738)

  19. Yu.F. Zhukovskii, S. Piskunov, and S. Bellucci, Double-wall carbon nanotubes of different morphology: electronic structure simulations. - Nanosci. Nanotechnol. Lett., 2012, 4, p. 1074-1081. pdf (IF = 0.528)

  20. R.I. Eglitis, Ab initio calculations of the atomic and electronic structure of SrZrO3 (111) surfaces. - Ferroelectrics, 2012, 436, p. 5-11. pdf (IF = 0.512) 

  21. P.K. Jha, V.N. Kuzovkov, and M. Olvera de la Cruz, Kinetic Monte Carlo simulations of flow-assisted polymerization. - ACS Macro Lett., 2012, 1, p. 1393−1397. pdf

  22. A.F Fix, F.U. Abuova, R.I. Eglitis, E.A. Kotomin, and A.T. Akilbekov, Ab initio calculations of the F centers in MgF2 bulk and on the (001) surface. - Phys. Scr., 2012, 86, 035304 (p. 1-5). pdf
     
  23. A. Reinfelds, O. Dumbrajs, H. Kalis, J. Cepitis, and D. Constantinescu, Numerical experiments with single mode gyrotron equations. - Math. Model. Anal., 2012, 17, p. 251–270. pdf

  24. J. Cepitis, O. Dumbrajs, H. Kalis, A. Reinfelds, and U. Strautins, Analysis of equations arising in gyrotron theory. - Nonlinear Analysis: Modelling and Control, 2012, 17, p. 139–152. pdf 

  25. Yu.F. Zhukovskii and R.A. Evarestov,  Ab initio simulations on rutile-based titania nanowires. - IOP Conf. Series: Mater. Sci. Engineering, 2012, 38, 012005 (p. 1-6). pdf 

  26. A.V. Sorokin, Yu.F. Zhukovskii, J. Purans, and E.A. Kotomin, The effect of Zn vacancies and Ga dopants on the electronic structure of ZnO: Ab initio simulations. - IOP Conf. Series: Mater. Sci. Engineering, 2012, 38, 012015 (p. 1-4). pdf

  27. F.U. Abuova, A.T. Akilbekov, and E.A. Kotomin, Ab initio calculations of the H centers in MgF2 crystals. - IOP Conf. Series: Mater. Sci. Engineering, 2012, 38, 012041 (p. 1-4). pdf

  28. O. Lisovski, S. Piskunov, Yu.F. Zhukovskii, and J. Ozolins, Ab initio modeling of sulphur doped TiO2 nanotubular photocatalyst for water-splitting hydrogen generation. - IOP Conf. Series: Mater. Sci. Engineering, 2012, 38, 012057 (p. 1-5). pdf

  29. E.A. Kotomin, Yu.F. Zhukovskii, D. Bocharov, and D. Gryaznov, Ab initio modelling of UN grain boundary interfaces. - IOP Conf. Series: Mater. Sci. Engineering, 2012, 38, 012058 (p. 1-4). pdf

  30. Yu.F. Zhukovskii, E.A. Kotomin, S. Piskunov, and S. Bellucci, CNT arrays grown upon catalytic nickel particles as applied in the nanoelectronic devices: Ab initio simulation of growth mechanism. - Proc. NATO ARW „Nanodevices and Nanomaterials for Ecological Security” (Eds. Yuri N. Shunin and Arnold E. Kiv; Springer: Dordrecht, 2012), p. 101-114. pdf

  31. R.I. Eglitis, Ab initio calculations of SrTiO3(111) surfaces. - Proc. NATO ARW „Nanodevices and Nanomaterials for Ecological Security” (Eds. Yuri N. Shunin and Arnold E. Kiv; Springer: Dordrecht, 2012), p. 125-132. pdf

  32. A. Gopejenko, Yu.F. Zhukovskii, P.V. Vladimirov, E.A. Kotomin, and A. Möslang, Interaction between oxygen and yttrium impurity atoms as well as vacancies in fcc iron lattice: Ab initio modeling. - Proc. NATO ARW „Nanodevices and Nanomaterials for Ecological Security” (Eds. Yuri N. Shunin and Arnold E. Kiv; Springer: Dordrecht, 2012), p. 149-160. pdf

  33. Yu.N. Shunin, Yu.F. Zhukovskii, N. Burlutskaya, V.I. Gopeyenko, and S. Bellucci, Simulation of fundamental properties of CNT- and GNR-metal interconnects for development of new nanosensor systems. - Proc. NATO ARW „Nanodevices and Nanomaterials for Ecological Security” (Eds. Yuri N. Shunin and Arnold E. Kiv; Springer: Dordrecht, 2012), p. 237-262. pdf

  34. R. Merkle, Yu.A. Mastrikov, E.A. Kotomin, M.M. Kuklja, and J. Maier, First principles calculations of oxygen vacancy formation and migration in Ba1−xSrxCo1−yFeyO3−δ perovskites. - J. Electrochem. Soc., 2012, 159, p. B219-B226. pdf

  35. P.V. Savchyn, V.V. Vistovskyy, A.S. Pushak, A.S. Voloshinovskii, A.V. Gektin, V. Pankratov, and A.I. Popov, Synchrotron radiation studies on luminescence of Eu2+-doped LaCl3 microcrystals embedded in a NaCl matrix. - Nucl. Instr. Meth. Phys. Res. B, 2012, 274, p. 78-82. pdf

  36. P.K. Jha, V.N. Kuzovkov, B.A. Grzybowski, and M. Olvera de la Cruz, Dynamic self-assembly of photo-switchable nanoparticles. - Soft Matter, 2012, 8, p. 227–234. pdf

  37. N. Zaporina, J. Grabis, M. Maiorov, A. Krumina, G. Heidemane, and D. Bocharov, Nanodisperse nickel ferrite: methods of production, structure and magnetic properties. - Latvian Journal of Chemistry, 2012, 1/2, p. 99–104. pdf

Scientific Books:

  1. Proceedings of NATO Advanced Research Workshop "Nanodevices and Nanomaterials for Ecological Security". NATO Science for Peace, Series B - Physics and Biophysics (Eds. Yu.N. Shunin and A.E. Kiv, Springer: Dordrecht, 2012), 363 p. pdf

Chapters in Scientific Books

  1. Yu.F. Zhukovskii, D. Bocharov, D. Gryaznov, and E.A. Kotomin, First Principles Simulations on Surface Properties and Oxidation of Nitride Nuclear Fuels. - Chapter in book: Advances in Nuclear Fuel (Ed. Shripad T. Revankar, InTech Open Acess Publishers), 2012, p. 95-122. pdf