2013

I. 29th ISSP Conference (Riga, Latvia, February, 2013).

1. D. Constantinescu, O. Dumbrajs, V. Igochine, K. Lackner, H. Zohm, and ASDEX Upgrade team, "Edge localized mode suppression by means of resonant magnetic perturbations”. Abstracts: p. 23.

2. J. Begens, S. Piskunov, and Yu.F. Zhukovskii, “Quantum chemical simulations of doped SrTiO3 nanotubes for application in photocatalytic reactions”. Abstracts: p. 25.

3. A. Anspoks, D. Bocharov, J. Purans, F. Rocca, and V.A. Trepakov, "Local structure analysis of SrTiO3 and SrTi18O3 by X-ray absorption spectroscopy”. Abstracts: p. 34.

4. A.V. Sorokin, Yu.F. Zhukovskii, D. Gryaznov, J. Purans, and E.A. Kotomin, "Temperature dependence of thermodynamic properties of oxygen vacancies in ZnO: first-principle calculations”. Abstracts: p. 35.

5. J. Kazerovskis, S. Piskunov, and Yu.F. Zhukovskii, “Atomic and electronic properties of Ni nanofilament encapsulated inside single-walled nanotubes of different chiralities”. Abstracts: p. 36.

6. R.I. Eglitis, H. Shi, R. Jia, and L. Chang, "First-principles calculations of hydroxyl impurities in CaF2 and BaF2 crystals”. Abstracts: p. 55.

7. A. Gopejenko, Yu.F. Zhukovskii, P.V. Vladimirov, E.A. Kotomin, J.Mastrikov, and A. Möslang, "Ab initio calculations of Y and vacancies interactions in fcc Fe lattice”.  Abstracts: p. 61.

8. A. Anspoks, D. Bocharov, J. Purans, F. Rocca, A. Sharakovskis, and V.A. Trepakov, "X-ray absorption spectroscopy and second harmonic generation analysis of SrTi18O3”. Abstracts: p. 85.

9. Yu.N. Shunin, Yu.F. Zhukovskii, V. Gopeyenko, T. Lobanova-Shunina, N. Burlutskaya, and S.Bellucci, "GNRs and CNTs based nanosensor systems modelling”. Abstracts: p. 103.

II. 47th Russian School on Condensed State Physics (St. Petersburg, Russia, March, 2013).

10. P. Zhgun, D. Bocharov, S. Piskunov, A. Kuzmin, and J. Purans, “Quantum chemistry calculations on ScF3 electronic structure and lattice dynamics”. Abstracts: p. 65.

III. 10th Symposium on Fuel Cell as well as Battery Modelling and Experimental Validation (ModVal-10) (Bad Boll, Germany, March, 2013).

11. R. Merkle, L. Wang, Yu.A. Mastrikov, E.A. Kotomin, M.M. Kuklja, and J. Maier, "Oxygen exchange mechanism on mixed conducting perovskites: insight from experiment and theory." - Abstracts: p. 37.

IV. 11th International Conference "Information Technologies and Management", IT&M'2013 (Riga, Latvia, April, 2013).

12. Yu.N. Shunin, Yu.F. Zhukovskii, V.I Gopeyenko, T. Lobanova-Shunina, N. Burlutskaya, and S. Bellucci, "Carbon-based nanosensor systems: modelling and technology". Abstracts: p. 17-18.

13. J. Kazerovskis, S. Piskunov, and Yu.F. Zhukovskii, "First principles simulations on Ni nanofilaments incorporated in carbon nanotubes". Abstracts: p. 53.

14. Yu.F. Zhukovskii, S. Piskunov, O. Lisovski, and J. Begens, "Doped TiO2 and SrTiO3 nanotubular photocatalysts for water-splitting hydrogen generation: First principles simulations". Abstracts: p. 80-82.

15. S. Piskunov and Yu.F. Zhukovskii, "BN nanotubes doped by Al, P, Ga, As, In, and Sb: Predictions from first principles". Abstracts: p. 110-111.

16. A. Gopejenko, Yu.F. Zhukovskii, P.V. Vladimirov, E.A. Kotomin, Yu.A. Mastrikov, and A. Möslang, "First principles modeling of interactions between Y, O and vacancies in fcc-Fe lattice". Abstracts: p. 112-114.

V. 9th International Conference "Functional Materials and Nanotechnologies" FM&NT-2013 (Tartu, Estonia, April, 2013).

17. A.I. Popov and G.J. McIntyre, “Photostimulable storage phosphors and image-plate development for neutron imaging”. – Abstract: OR-11.

18. A. Anspoks, D. Bocharov, J. Purans, F. Rocca, A. Sarakovskis, V.A. Trepakov, A. Dejneka, and M. Itoh, “Local structure studies of SrTi16O3 and SrTi18O3.” – Abstract: OR-15.  

19. Yu.N. Shunin, Yu.F. Zhukovskii, V.I. Gopeyenko, N. Burlutskaya, T. Lobanova-Shunina, and S. Bellucci, “Electromagnetic properties of interconnects in nanodevices based on CNT, GNR and graphene aerogels.” – Abstract: OR-28.

20. G. Zvejnieks, P. Merzlyakov, V.N. Kuzovkov, and E.A. Kotomin, “Cellular automata modeling of void lattice self-organization in CaF2 under irradiation.” – Abstract: OR-29.

21. Yu.F. Zhukovskii, A. Gopejenko, Yu.A. Mastrikov, E.A. Kotomin, P.V. Vladimirov, and A. Möslang, “Modeling of Y-O precipitation in bcc-Fe and fcc-Fe lattices.” – Abstract: OR-35.

22. E.A. Kotomin, M.M. Kuklja, Yu.A. Mastrikov, O. Sharia, D. Fuks, and J. Maier, “Prediction of structural stability of complex perovskites for solid oxide fuel cells from first principles.” – Abstract: OR-36.

23. E. Klotins and G. Zvejnieks, “Electron-phonon interactions: spatial localization.” – Abstract: OR-44.

24. P. Merzlyakov, G. Zvejnieks, V.N. Kuzovkov, and E.A. Kotomin, “Statistical analysis of void lattice formation in CaF2.” – Abstract: PO-30.

25. A.I. Popov, V. Savchyn, J. Purans, A. Dabrowska, A. Huczko, B. Pathak, and D.P. Subedi, “Cathodoluminescence study if Al-doped ZnO nanofilms.” – Abstract: PO-78.

26. F.U. Abuova, A.T. Аkilbekov, E.A. Коtоmin, and S. Piskunov, “First-principles calculations of defects in MgF2.” – Abstract: PO-146.

27. A. Usseinov, E.A. Kotomin, Yu.F. Zhukovskii, J. Purans, A. Sorokin, and A.T. Akilbekov, “First-principles calculations of ZnO crystals doped with hydrogen.” – Abstract: PO-168.

28. A. Sorokin, D. Gryaznov, E.A. Kotomin, and J. Purans, “First-principles calculations of electronic structure and phonon properties of Al- and H-doped ZnO.” – Abstract: PO-169.

29. A.I. Popov, L. Shirmane, V. Pankratov, V. Dimza, M. Antonova, M. Livinsh, A. Kotlov, and J. Zimmermann, “VUV synchrotron radiation of PLZT ceramics.” – Abstract: PO-176.

VI. 2013 MRS Spring Meeting (San Francisco, USA, April, 2013).

30. E.A. Kotomin, R. Merkle, Yu. Mastrikov, M.M. Kuklja, D. Fuks, and J. Maier, "Ab initio modeling of oxygen transport in mixed conducting perovskites for SOFC applications." - Abstract: G6.02.

31. E.A. Kotomin, E. Blokhin, D. Gryaznov, R.A. Evarestov, and J. Maier, "Ab initio study of confinement effects for ionic carriers in perovskite ultrathin films." - Abstract: XX1.05.

VII. International Conference NANOMEETING-2013 (Minsk, Belarus, May, 2013).

32. S. Piskunov, J. Kazerovskis, Yu.F. Zhukovskii, P.N. Dyachkov, and S. Bellucci, "Incorporation of Ni nanofilament inside carbon nanotubes: DFT calculations."

33. Yu.N. Shunin, Yu.F. Zhukovskii, V.I. Gopeyenko, N. Burlutskaya, T. Lobanova-Shunina, and S. Bellucci, "Electromagnetic properties of CNTs and GNRs based nanostructures for nanosensor systems."

34. 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."

VIII. E-MRS 2013 Spring Meeting (Strasbourg, France, May, 2013).

35. E.A. Kotomin, M.M. Kuklja, D. Fuks, Yu.A. Mastrikov, O. Sharia, and J. Maier, "Understanding structural stability of complex perovskites for solid oxide fuel cells: First principles calculations." - Abstract: F.P2-1.

36. E.A. Kotomin, D. Bocharov, D. Gryaznov, and Yu.F. Zhukovskii, "Ab initio simulations of oxygen interaction with surfaces, interfaces and grain boundaries in uranium mononitride nuclear fuels." - Abstract: M.7-2.

37. G. Zvejnieks, V.N. Kuzovkov, and E.A. Kotomin, "Characterization of self-assembled charged nanoparticle structures." - Abstract: N.P1-9.

38. V.N. Kuzovkov, G. Zvejnieks, and E.A. Kotomin, "Non-equilibrium charge screening in pattern formation kinetics for oppositely charged nanoparticles." - Abstract: N.P1-10.

39. D. Gryaznov, E.A. Kotomin, E. Blokhin, R.A. Evarestov, J. Maier, and J. Purans, "A comparative ab initio thermodynamic study of oxygen vacancies in oxides." - Abstract: O.P2-5.

40. A. Usseinov, E.A. Kotomin, Yu.F. Zhukovskii, J. Purans, A. Sorokin, and A.T. Akilbekov, "Atomic and electronic structure of hydrogen-doped ZnO: Ab initio hybrid calculations." - Abstract: O.P2-6.

IX. Work Package Meeting of the EC COST project CM 1104 "Reducible oxides" (London, UK, May, 2013).

41. E.A. Kotomin and Yu. Mastrikov, "Ab initio modelling of oxygen transport in (Ba,Sr)(Co,Fe)O3 perovskite solid solutions for solid oxide fuel cells." - Abstract: p. 1.

42. Yu. Mastrikov and E.A. Kotomin, "Ab initio modeling of oxygen reduction and diffusion in perovskite solid solutions for SOFC and permeation membranes." - Abstract: p. 3.

X. Bunsentagung 2013 Meeting [Annual meeting of German Physical Chemistry Socienty] (Karlsruhe, Germany, May, 2013).

43. R. Merkle, Yu.A. Mastrikov, E.A. Kotomin, M.M. Kuklja, and J. Maier, "Comparative analysis of oxygen mobility in (La,Sr)(Co,Fe)O3 perovskites based on ab initio modeling."

XI. International Symposium on Recent Electronic-Structure Theories and Related Experiments (Stuttgart, Germany, June, 2013).

44. D. Gryaznov, E.A. Kotomin, A. Bussmann-Holder, and J. Maier, "A comparative ab initio thermodynamic study of oxygen vacancies in oxide perovskites: role of phonons."

45. E.A. Kotomin, Yu.A. Mastrikov, R. Merkle, and J. Maier, "A comparative analysis of oxygen vacancy diffusion in LSCF and BSCF perovskite solid solutions: ab initio modeling."

XII. International Symposium on Solid State Ionics (SSI-19) (Kyoto, Japan, June, 2013)

46. M.M. Kuklja, Yu.A. Mastrikov, R. Merkle, E.A. Kotomin, and J. Maier, "Comparative analysis of oxygen mobility in LSCF." - Abstracts: A2-08.

47. R. Merkle, L. Wang, A. Wedig, Yu.A. Mastrikov, E.A. Kotomin, and  J. Maier, "Oxygen exchange kinetics on SOFC cathode materials - reaction mechanism and importance of defects." - Abstract: C1-12.

XIII. Annual Monitory Meeting of European Fusion Development Agreement, EFDA - 2013 (Bucharest, Romania, June, 2013).

48. Yu.A. Mastrikov, P.V. Vladimirov, V.A. Borodin, Yu.F. Zhukovskii, E.A. Kotomin, and A. Möslang, "Ab initio modeling of nY/nVFe complexes diffusion in the α-Fe lattice."

XIV. 25th Joint Russian-German Workshop on ECRH and Gyrotrons (Karlsruhe, Germany, June, 2013).

49. O. Dumbrajs, "Effect of electron beam misalignments on the gyrotron efficiency".

XV. 17th International Conference on Radiation Effects in Insulators, REI'17 (Helsinki, Finland, July, 2013).

50. M.M. Kuklja, E.A. Kotomin, O. Sharia, Yu.A. Mastrikov, and J. Maier, "Radiation defects in complex solid solutions." - Abstract: O-33.

51. F.U. Abuova, A.T. Akilbekov, E.A. Kotomin, S. Piskunov, and V.M. Lisitsyn, "Ab initio modelling of radiation damage in MgF2." - Abstract: PB-13.

52. D. Gryaznov, E.A. Kotomin, E. Blokhin, R.A. Evarestov, J. Maier, and J.Purans, "A comparative ab initio thermodynamic study of oxygen vacancies in oxides." - Abstract: PB-18.

XVI. European Physical Society Plasma Physics conference (Espoo, Finland, July, 2013).

53. O. Dumbrajs, "RMP ELM suppression analysis by means of a low-dimensional model system for quasi-periodic plasma perturbations".

XVII. Workshop on New Horizons in Electrochemistry- at the Boundary to Physics and Materials Science (Capri, Italy, August, 2013).

54. E.A. Kotomin, Yu.A. Mastrikov, R. Merkle, and J. Maier, "Ab initio modelling of oxygen reduction and transport in perovskites for solid oxide fuel cells." - Abstract: p. 24.

XVIII. Advances in the Chemistry of Disordered Solids: Workshop Honouring the Contributions of Professor Patrick Jacobs to Solid State Chemistry (London, UK, September, 2013).

55. E.A. Kotomin, "First principles modelling of strongly non-stoichiometric perovskite solid solutions."

XIX. 246th American Chemical Society National Meeting & Exposition (Indianapolis, USA, September, 2013).

56. M. Kuklja, E.A. Kotomin, D. Fuks, Yu.A. Mastrikov, O. Sharia, R. Merkle, and J. Maier, "First principles modeling of complex perovskites for energy applications." Abstracts: p. 416.

XX. European Congress on Advanced Materials and Processes, EUROMAT 2013 (Sevilla, Spain, September, 2013).

57. D. Fuks, M.M. Kuklja, Yu.A. Mastrikov, and E.A. Kotomin, "Phase stability versus decomposition in complex perovskite solid solutions from DFT study." Symposium E1.III. Materials for Fuel Cells.

XXI. 38th International Conference on Infrared, Millimeter and Terahertz Waves, IRMMW-THz 2013 (Mainz, Germany, September, 2013).

58. O. Dumbrajs, "Effect of the tilt on the gyrotron operation". Abstracts: We5-5.

XXII. Ab initio Modelling in Solid State Chemistry, MSSC2013 (London, UK, September, 2013).

59. P. Zhgun, D. Bocharov, S. Piskunov, A. Kuzmin, and J. Purans, “Quantum chemistry calculations on negative thermal expansion in scandium fluoride”.

XXIII. 14th International Workshop on Nanoscience and Nanotechnology, n&n-2013 (Frascati, Italy, September-October, 2013).

60. S. Piskunov, Yu.F. Zhukovskii, O. Lisovski, J. Begens, E. Spohr, and S. Bellucci, "C-, N-, S-, and Fe-doped TiO2 and SrTiO3 nanotubes for photocatalytical water-splitting: Prediction from first principles." - Abstracts: p. 15-17.

61. Yu.N. Shunin, Yu.F. Zhukovskii, V.I. Gopeyenko, N. Burlutskaya, T. Lobanova-Shunina, and S. Bellucci, "Nanocarbon electromagnetics in CNT-, GNR - and aerogel-based nanodevices." - Abstracts: p. 22-24.

62. Yu.F. Zhukovskii and R.A. Evarestov, "Theoretical description of TiO2 nanowires modeled from densely-packed rutile surfaces." - Abstracts: p. 88-91.

XXIV. 6th International Conference “Physics of Disordered Systems” (Lviv, Ukraine, October, 2013).

63. A. Usseinov, E.A. Kotomin, Yu.F. Zhukovskii, J. Purans, A.T. Akilbekov, and A.K. Dauletbekova, "Hydrogen adsorption on non-polar surfaces of ZnO: Ab initio calculations." - Abstracts: p. 91.

XXV. 2nd General COST Meeting, Action CM 1104 "Reducible Oxide Chemistry" (Uppsala, Sweden, November, 2013).

64.  Yu.A. Mastrikov and E.A. Kotomin, "First principles modeling of processes in complex perovskites for solid oxide fuel cells". - Abstracts, p. 67.

XXVI. 6th International Conference on Innovative Information Technologies, IIT-2013 (Vilnius, Lithuania, November, 2013).

65. Yu.N. Shunin, Yu.F. Zhukovskii, V.I. Gopeyenko, T. Lobanova-Shunina, N. Burlutskaya, and S. Bellucci, "Carbon based nanosensor systems for intelligent systems: Modeling and technology."