2018


I. Advanced Materials World Congress (Singapore, February 2018).

1. Yu.F. Zhukovskii, S. Piskunov, O. Lisovski, D. Bocharov, and P.N. D'yachkov. "Ab initio simulations on 2D & 1D WS2 structures: Comparison of their photocatalytic suitability". Abstract: AMWC-4293. PR.

2. Yu.F. Zhukovskii, S. Piskunov , D. Bocharov, E. Spohr , and R.A. Evarestov. "First principles evaluation on photocatalytic suitability of 2D WS2 (0001) nanosheets". Abstract: AMWC-4410. OR.

3. S. Kenmoe, O. Lisovski, S. Piskunov, E. Spohr, Yu.F. Zhukovskii, and D. Bocharov. "Molecular dynamical simulations on constrained 2D slab model for water adsorption on 1D periodic TiO2 NH- and S-doped nanotubes". Abstract: AMWC-4506. PR.

II. 34th ISSP Conference (Riga, Latvia, February 2018).

4. A.I. Popovs, E. Elsts, E. Shablonin, E. Vasil'chenko, A. Ch. Lushchik, V.N. Kuzovkov, M. Ķemere, L. Trinkler, and J.E.M. Santiuste. "Thermostimulated luminescence measurements of neutron, electron and thermochemically-reduced Y3Al5O12 and Gd3Ga5O12 single crystals". Abstract: p. 47. PR.

5. A. Antuzevics, U. Rogulis, A.I. Popov, A. Zarkov, L. Sinusaite, and A. Kareiva. "Luminescence and electron paramagnetic resonance investigation of manganese doped tricalcium phosphate". Abstract: p. 53. PR.

6. L. Lace, A.I. Popov, M. Kundziņš, M. Līviņš, M. Antonova, and V. Dimza. "Polarization and structural changes in strong electric fields in PLZT 8/65/35 ceramic doped with 3d elements". Abstract: p. 82. PR.

7. S. Piskunov, D. Bocharov, M. Putnina, Yu.F. Zhukovskii, and R.A. Evarestov. "Ab initio calculations on photocatalytic properties of two-dimensional WS2 (0001) nanosheets". Abstract: p. 83. PR.

8. D. Zavickis and G. Zvejnieks. "Yttrium oxide aggregation in 2d iron lattice: kinetic Monte Carlo simulations". Abstract: p. 84. PR.

9. R.I. Eglitis and A.I. Popov. "Ab initio calculations of polar YAlO3 (001) surfaces". Abstract: p. 90. OR.

10. A. Gopejenko, Yu.F. Zhukovskii, Yu.A. Mastrikov, P.V. Vladimirov, E.A. Kotomin, and A. Möslang. "Modelling of Y-Ti-O precipitate inside the fcc-Fe lattice in support of ODS particle formation". Abstract: p. 91. OR.

11. D. Bocharov, A. Kuzmin, and M. Krack. "Interpretation of EXAFS spectra using first principles molecular dynamics". Abstract: p. 92. OR.

12. O. Lisovski, S. Piskunov, and Yu.F. Zhukovskii. "Band gap tuning for WS2 multi-wall nanotubes via altering of diameter and number of walls". Abstract: p. 93. OR.

13. L.L. Rusevich, G. Zvejnieks, D. Gryaznov, and E.A. Kotomin. "First principles study of (Ba,Sr/Ca)TiO3 perovskite solid solutions and heterostructures for energy harvesting applications". Abstract: p. 94. OR.

14. A. Chesnokov, D. Gryaznov, and E.A. Kotomin. "Electron localization effects in Tb-doped CeO2". Abstract: p. 95. OR.

15. A. Platonenko, D. Gryaznov, Yu.F. Zhukovskii, and E.A. Kotomin. "Properties and mobility of oxygen interstitials in corundum: ab initio study". Abstract: p. 96. OR.

III. The 18th Israel Materials Engineering Conference IMEC-18 (Dead Sea, Israel, February 2018).

16. M.F. Hoedl, R. Merkle, E. Makagon, I. Lubomirsky, E.A. Kotomin, and J. Maier. "Ab initio study of electromechanical properties of Yttrium doped Barium Zirconate". Proceedings: p. 27. OR.

17. E. Kotomin. "Effect of surface termination on the oxygen reduction rate on cathodes for oxide fuel cells". Proceedings: p. 30. INV.R.

IV. School "Nonadiabatic Molecular Dynamics in Three Different Flavors" (CECAM, Lausanne, Switzerland, February-March 2018).

18. D. Bocharov, A. Kuzmin, and M. Krack. "Interpretation of EXAFS spectra in ScF3, ZnO and Cu3N compounds using first principles molecular dynamics". PR.

V. 16th International Conference "Information Technologies and Management", IT&M'2018 (Riga, Latvia, April 2018).

19. A. Gopejenko, Yu.F. Zhukovskii, Yu.A. Mastrikov, E.A. Kotomin, and P.V. Vladimirov. "Ab initio simulations of the Y, Ti and O solute interactions in fcc-Fe lattice in presence of VFe vacancies". Abstract: pp. 11-12. OR.

20. Yu.F. Zhukovskii, S. Piskunov, O. Lisovski, and E. Spohr. "Suitability of WS2 nanotubes with different morphology for photocatalytic water splitting: First principles simulations". Abstract: pp. 13-14. OR.

21. J.R. Kalnin and E.A. Kotomin. "The effective diffusion coefficient in two-dimensional systems". Abstract: p. 32. OR.

VI. E-MRS 2018 Spring Meeting (Strasbourg, France, June 2018).

22. G. Zvejnieks, L.L. Rusevich, D. Gryaznov, and E.A. Kotomin. "First Principles Study of (Ba,Sr)TiO3 Perovskite Solid Solutions and Heterostructures for Energy Harvesting". Abstract: B.P1.31. PR.

23. L.L. Rusevich, G. Zvejnieks, E.A. Kotomin, M.M. Krzmanc, S. Kunej, and I.D. Vlaicu. "Theoretical and experimental study of BaTiO3-based composite perovskites for energy harvesting applications". Abstract: B.P1.32. PR.

24. R.I. Eglitis and A.I. Popov. "First principles calculations of the optical properties and polar (001) surfaces of YAlO3". Abstract: B.P2.26. PR.

25. A.I. Popov, E. Elsts, E. Shablonin, E. Vasil'chenko, A.Ch. Lushchik, V. Kuzovkov, M. Kemere, L. Trinkler, and J.E. Munoz Santiuste. "Thermostimulated luminescence measurements of neutron, electron and thermochemically-reduced Y3Al5O12 and Gd3Ga5O12". Abstract: C.P.22. PR.

26. A. Platonenko, Yu.F. Zhukovskii, D. Gryaznov, and E.A. Kotomin. "Ab initio study of oxygen interstitials in MgAl2O4 spinel". Abstract: K.4K.6. OR.

27. A.I. Popov, V.N. Kuzovkov, A.Ch. Lushchik, and E.A. Kotomin. "Thermal annealing of F-type centers in irradiated oxides: A critical analysis of experimental and theoretical studies". Abstract: K.V.3. OR.

28. Yu.A. Mastrikov, M.N. Sokolov, E.A. Kotomin, A.V. Gopejenko, and Yu.F. Zhukovskii. "Ab initio modelling of Y and O solute atom interaction in small clusters within the bcc iron lattice". Abstract: K.PI.5. PR.

29. A.I. Popov, M. Izerrouken, V.N. Kuzovkov, A.Ch. Lushchik, E.A. Kotomin, and R. Vila. "Modeling of F-type centers thermal annealing in irradiated Al2O3". Abstract: K.PI.6. PR.

30. V. Savchyn, C. Balasubramanian, I. Karbovnyk, O.I. Aksimentyeva, H. Klym, E. Elsts, A. Akilbekov, A. Dauletbekova, and A.I. Popov. "Luminescence studies of nanostructured AlN, AlN/CsI and AlN nanotube/polymer composites". Abstract: K.PI.7. PR.

31. A. Chesnokov, D. Gryaznov, and E.A. Kotomin. "First principles calculations of CeO2 doped with Tb". Abstract: K.XV.3. OR.

32. E.A. Kotomin, Yu.A. Mastrikov, R. Merkle, M.M. Kuklja, and J. Maier. "Effect of the cathode surface termination on the oxygen reduction reaction rate". Abstract: R.9.5. OR.

33. D. Gryaznov, M. Hodl, R. Merkle, E.A. Kotomin, and J. Maier. "First principles calculations of protonic defects in ferrate perovskites". Abstract: R.P2.3. PR.

34. Ju. Garcia-Fayos, D. Gryaznov, D. Catalan, E.A. Kotomin, and J.M. Serra. "CO2 adsorption on perovskite membranes and its effect on oxygen permeation". Abstract: R.P2.4. PR.

35. A.I. Popov, E.A. Kotomin, D. Gryaznov, and J. Maier. "Are color centers possible in ceria?". Abstract: R.P2.8. PR.

36. M.F. Hoedl, R. Merkle, E. Makagon, I. Lubomirsky, E.A. Kotomin, J. Maier. "Acceptor-doped BaZrO3: Ab-initio study of (electro)mechanical properties". Abstract: R.11.5. OR.

37. E.A. Kotomin, V.N. Kuzovkov, and A.I. Popov. "Unusual kinetics of F center annealing in irradiated oxide materials". Abstract: Y.1.2. OR.

VII. The Europhysical Conference on Defects in Insulating Materials (Eurodim) (Bydgoszcz, Poland, 8-13 July).

38. A.I. Popov, E.A. Kotomin, V.N. Kuzovkov,  and A. Lushchik. "Thermal annealing of F type centers in irradiated solids". Abstracts, p. 10. INV.R.

39. A. Lushchik, E. Feldbach, T. Kärner, N. Mironova-Ulmane, A.I. Popov, E. Shablonin, E. Vasil’chenko, and V. Seeman. "Fast-Neutron-Induced and As-Grown Structural Defects in Mg-Al Spinel Crystals with Different Stoichiometry". Abstracts, p. 12. OR.

40. E.A. Kotomin, M. Kuklja, Yu.A. Mastrikov, R. Merkle, and J.Maier. “Large scale first principles modelling of non-stoichiometric perovsites”. Abstracts, p. 13. PLEN.R.

41. D. Gryaznov, M.F. Hödl, R. Merkle, E.A. Kotomin, and J. Maier. “Proton uptake and mobility in (Ba,Sr,La)FeO3 perovskites: DFT results”. Abstracts, Nr. TuP1-10, p.16. PR.

42. A. Platonenko and A.I. Popov. “Structural and Electronic Properties of β-NaYF4 and β-NaYF4:Ce3+”. Abstracts, Nr. ThP2-6, p.17. PR.

VIII. Electroceramics XVI (Hasselt, Belgium, 9-12 July).

43. M. Hoedl, R. Merkle, E. Makagon, I. Lubomirsky, E.A. Kotomin, and J.Maier. “DFT investigation of (electro)mechanical properties of Y- and Sc-doped BaZrO3”. Abstract PS-1C.05, p. 17. PR.

44. E. Makagon, M. Hoedl, R. Merkle, E.A. Kotomin, J.Maier, and I. Lubomirsky. “Mechanical and electromechanical properties of acceptor doped BaZrO3”. Abstract OS-4B.03, p.22. OR.

IX. International conference on atomistic simulations of functional materials ASFM-2018 (Moscow, Russia, 12-13 September).

45. E.A. Kotomin, R. Merkle, Yu.A. Mastrikov, and J. Maier. "Effects of the surface termination on oxygen reduction rate on cathodes for fuel cells". OR.

X. 6th International Congress on Energy Fluxes and Radiation Effects EFRE-2018 (Tomsk, Russia, 16-22 September).

46. A.I. Popov, E.A. Kotomin, V.N. Kuzovkov, and A. Lushchik. "Radiation effects and defect annealing in functional materials for fusion applications". PLEN.R.

47. G.A. Kaptagay, Yu.A. Mastrikov, A. Kopenbaeva, and S. Sandivaena. "First principles investigation on catalytic properties of N-doped Co3O4 bulk". PR.

48. A.B. Usseinov, Yu.F. Zhukovskii, E.A. Kotomin, A.T. Akilbekov, M.V. Zdorovets, and G.M. Baubekova. "Transition levels of acceptor impurities in ZnO crystal by DFT-LCAO calculations". PR.