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 2018).

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 2018).

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. 20th International Conference-School "Advanced Materials and Technologies 2018" (Palanga, Lithuania, 27-31 August 2018).

45. L. Sinusaite, A. Antuzevics, I. Grigoraviciute-Puroniene, A.I. Popov, U. Rogulis, A. Katelnikovas, A. Kareiva, and A. Zarkov. "Phase evolution, structural and luminescent properties of Mn-doped calcium hydroxyapatite, alpha- and beta-tricalcium phosphates". Abstract P72, p.104. PR.

X. 10th International Conference on Luminescent Detectors and Transformers of Ionizing Radiation (Prague, Czech Republic, 9-14 September 2018).

46. A.I. Popov, E. Feldbach, I. Kudryavtseva, J. Zimmermann, E. Aleksanyan, A. Moskina, E. Elsts, J. Purans, and A. Lushchik. "Luminescence study of ScF3 single crystals under UV-VUV, X-ray and electron beam excitation". Abstracts: p.69. PR.

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

47. 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.

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

48. A.I. Popov, E.A. Kotomin, V.N. Kuzovkov, and A. Lushchik. "Radiation effects and defect annealing in functional materials for fusion applications". Abstracts: p.13. PLEN.R.

49. G.A. Kaptagay, Yu.A. Mastrikov, A. Kopenbaeva, and S. Sandivaena. "First principles investigation on catalytic properties of N-doped Co3O4 bulk". Abstracts: p.374. PR.

50. 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". Abstracts: p.652. PR.

XIII. 12th International Conference of Functional Materials and Nanotechnologies FM&NT-2018 (Riga, Latvia, 2-5 October 2018).

51. A.I. Popov, E.A. Kotomin, and V.N. Kuzovkov. "Understanding of the kinetics of defect annealing in heavily irradiated binary and complex oxides – disordering effects". Abstract OR-4, p.77. OR.

52. R. Eglitis. "Ab initio calculations of ABO3 perovskite (001), (011) and (111) surfaces, interfaces and defects therein". Abstract OR-14, p.87. OR.

53. A. Sternberg, A.I. Popov, E.A. Kotomin, A. Anspoks, and J. Purans. "Advanced materials and technologies in fusion research: an overview and some recent results from Latvian EUROfusion laboratory". Abstract OR-26, p.99. OR.

54. E.A. Kotomin, M. Kuklja, Yu. Mastrikov, R. Merkle, and J. Maier. "First principles calculations of perovskite solid solutions for fuel cells". Abstract OR-28, p.101. OR.

55. Yu.F. Zhukovskii, S. Piskunov, O. Lisovski, and R.A. Evarestov. "First principles evaluation of photocatalytic suitability of 2H structured and [0001] oriented graphene-like WS2 nanosheets and nanotubes". Abstract OR-30, p.103. OR.

56. D. Gryaznov and E.A. Kotomin. "CO2 adsorption on mixed ionic-electronic conducting membranes". Abstract PO-6, p.116. PR.

57. D. Bocharov, Yu. Rafalskij, A. Kuzmin, and M. Krack. "Negative thermal expansion of ScF3: first principles vs empirical molecular dynamics". Abstract PO-7, p.117. PR.

58. R. Eglitis and A.I. Popov. "First principles calculations for polar YAlO3 (001) surfaces". Abstract PO-9, p.119. PR.

59. A.I. Popov, E.A. Kotomin, A.Moskina, and V.N. Kuzovkov. "Modeling of F-type centers thermal annealing in neutron irradiated and thermochemically reduced BeO". Abstract PO-11, p.121. PR.

60. A. Platonenko and A.I. Popov. "Structural and electronic properties of pure and Ce3+ doped β-NaYF4". Abstract PO-13, p.123. PR.

61. L.L. Rusevich, G. Zvejnieks, and E.A. Kotomin. "Ab initio simulation of (Ba,Sr/Ca)TiO3 composite perovskites". Abstract PO-15, p.125. PR.

62. D. Zablotsky, V.N. Kuzovkov, and E.A. Kotomin. "Dipole-induced disorder in quasi-equilibrium assemblies of ferroelectric nanocubes". Abstract PO-18, p.128. PR.

63. S. Piskunov, Yu.F. Zhukovskii, O. Lisovski, and J. Kleperis. "Computer simulation of Cun@graphene (0001) nanostructures for the electrocatalytic production of C2H4O". Abstract PO-19, p.129. PR.

64. G. Prieditis, E. Feldbach, A.I. Popov, E. Shablonin1, and A. Lushchik. "Luminescent characteristics of magnesium aluminate spinel of different stoichiometry". Abstract PO-48, p.158. PR.

65. D. Sugak, U. Yakhnevych, I.I. Syvorotka, O. Buryy, A.I. Popov, and S. Ubizskii. "Optical investigation of the OH- groups in the layers of LiNbO3 crystals formed by copper ions diffusion". Abstract PO-50, p.160. PR.

66. D. Sugak, A. Luchechko, N. Martynyuk, O. Kravets, A.I. Popov, and S. Ubizskii. "Luminescence properties and decay kinetics of Mn2+ and Eu3+ ions in MgGa2O4 and ZnGa2O4 ceramics". Abstract PO-51, p.161. PR.

67. Ya. Zhydachevskyy, A. Luchechko, D. Afanassyev, N. Martynyuk, A.I. Popov, D. Sugak, S. Ubizskii, and A. Suchocki. "Time resolved pulsed OSL readout of ceramic YAP:Mn detectors". Abstract PO-52, p.162. PR.

68. H. Klym, A. Ingram, I. Hadazman, I. Karbovnyk, and A.I. Popov. "Nanoporous characterization of modified humidity-sensitive MgO-Al2O3 ceramics by positron annihilation lifetime spectroscopy method". Abstract PO-55, p.165. PR.

69. H. Klym, A. Ingram, I. Karbovnyk, L. Calvez, and A.I. Popov. "Structural investigation of crystallized Ge-Ga-Se chalcogenide glasses". Abstract PO-56, p.166. PR.

70. V.Dimza, A.I.Popov, L. Lāce, M. Kundziņš, M. Līviņš, and M. Antonova. "Effects of strong electric fields on polarization and structural properties changes of 3d-ion doped PLZT 8/65/35 ceramics". Abstract PO-77, p.187. PR.

71. A.I. Popov, E. Elsts, V. Grāveris, V. Kuzovkov, E. Shablonin, E. Vasil'chenko, G. Priedītis, and A. Ch. Lushchik. "Thermostimulated luminescence properties of neutron, electron and thermochemically-reduced Y3Al5O12". Abstract PO-96, p.206. PR.

72. A.I. Popov, V. Savchyn, C. Balasubramanian, O.I. Aksimentyeva, E. Elsts, A. Moskina, L. Myasnikova, A. Barmina, N. Zhanturina, S. Sagimbaeva, D. Sergeyev, and K. Shunkeyev. "Cathodoluminescence studies of nanostructured AlN, AlN nanotube/CsI scintillator and AlN nanotube/polymer composites". Abstract PO-97, p.207. PR.

73. E. Butanovs, S. Vlassov, A. Kuzmin, S. Piskunov, J. Butikova, and B. Polyakov. "ZnO/WS2 nanowire core/shell heterostructures for light detection". Abstract PO-103, p.213. PR.

XIV. 10th International Conference and Exposition on Electrical and Power Engineering EPE-2018 (Iasi, Romania, 18-19 October 2018).

74. L.L. Rusevich, G. Zvejnieks, E.A. Kotomin, M.M. Krzmanc, S. Kunej, and I. Vlaicu. "Theoretical and experimental study of BaTiO3-based perovskites solid solutions and BaTiO3/SrTiO3 heterostructures". Technical Program, p.9. OR.

XV. 8th Annual World Congress of Nano Science and Technology "Nano S&T–2018" (Potsdam, Germany, 24-26 October 2018).

75. Yu.F. Zhukovskii, M. Sokolov, S. Piskunov, O. Lisovski, and J. Kleperis. "Development of atomistic models used for theoretical simulation of electrocatalytic synthesis of C2H4O". Abstract: p.284. OR.

76. Yu.F. Zhukovskii, S. Piskunov, D. Bocharov, A. Platonenko, R.A. Evarestov, and S. Bellucci. "Ab initio simulations on bimetallic Fe-Pt nanoclusters of various morphologies". Abstract: p.332. PR.

XVI. International Conference ECOBALT-2018 (Vilnius, Lithuania, 25-27 October 2018).

77. A.I. Popov. "Physics of photostimulable storage phosphors – progress overview of image plate development and their application in physics, biology and life sciences". Abstract: p.28. INV.R.

78. A. Moskina,  A.I. Popov, V. Savchyn, C. Balasubramanian, O.I. Aksimentyeva, E. Elsts,  L. Myasnikova, A. Barmina, N. Zhanturina, S. Sagimbaeva, D. Sergeyev, and K. Shunkeyev. "Luminiscence characterization of AlN nanotube/CsI scintillator and AlN nanotube/polymer composites for medical application". Abstract: p.73. PR.