2022


I. Annual meeting of the COST Action: Computational materials sciences for efficient water splitting with nanocrystals from abundant elements (CA18234) “Computational water splitting, where we are now and where to go?" (Online event, 14-15 February 2022).

1. Yu.A. Mastrikov, M.N. Sokolov, V.P. Krasnenko, E.A. Kotomin. "Water adsorption on strontium titanate stepped surface". INV.R.

II. 6th International workshop on Prospects on protonic ceramic cells PPCC-2022 (Dijon, France, 8-10 June 2022).

2. M. Hoedl, R. Merkle, E. Kotomin, J. Maier. "Defect chemistry of BaFeO3 cathode materials investigated by density functional theory". PR.

III. 18th International Conference on Diffusion in Solids and Liquids - DSL2022 (Florence, Italy, 27 June - 1 July 2022).

3. V.N. Kuzovkov, A.I. Popov, E.A. Kotomin. "Understanding diffusion-controlled recombination kinetics in heavily irradiated binary and complex oxides". Abstract book, p.54. PR.

IV. Joint International Conference FMNT-NIBS 2022 (Riga, Latvia, 3-6 July 2022).

4. M.F. Hoedl, A. Chesnokov, R. Merkle, D. Gryaznov, E.A. Kotomin, J. Maier. "First-principles study of proton diffusion in BaFeO3-δ". INV-21, Book of abstracts, p. 82. INV.R.

5. E.A. Kotomin, A.I. Popov, V.N. Kuzovkov, A. Platonenko. "First principles calculations of radiation defect properties in complex oxide crystals". INV-22, Book of abstracts, p. 83. INV.R.

6. A.I. Popov, E.A. Kotomin, V.N. Kuzovkov, A. Lushchik, A. Platonenko, E. Shablonin, V. Seeman, T.A. Scherer. "Deep understanding of advanced optical and dielectric materials for fusion diagnostic applications". INV-26, Book of abstracts, p. 87. INV.R.

7. D. Gryaznov, M. Hoedl, R. Merkle, E.A. Kotomin, J. Maier. "Ab-initio modelling elucidates materials trends for electrochemistri applications". OR-34, Book of abstracts, p. 124. OR.

8. A. Chekhovska, N. Shul'ga, A.I. Popov. "EXPERIMENTAL STUDIES OF THE 112SN(G,N)111SN AND 112SN(G,P)111M,GIN REACTIONS FOR P-NUCLEI PRODUCTION SIMULATION". OR-40, Book of abstracts, p. 130. OR.

9. L.L. Rusevich, E.A. Kotomin, G. Zvejnieks, Yu.A. Mastrikov, M. Sokolov, J. Maier. "COMPUTER MODELLING OF WATER SPLITTING ON PEROVSKITE NANOPARTICLES". Po-11, Book of abstracts, p. 145. PR.

10. A. Začinskis, D. Bocharov, A. Platonenko, A. Popov, S. Piskunov, J. Purans. "IRIDIUM INCORPORATION DEFECTS IN GALLIUM OXIDE: AB-INITIO SIMULATIONS". Po-42, Book of abstracts, p. 176. PR.

11. M.F. Hoedl, R. Merkle, E.A. Kotomin, J. Maier. "THE ORBITAL NATURE OF ELECTRON HOLES IN BAFEO3–Δ AND IMPLICATIONS FOR DEFECT CHEMISTRY". Po-45, Book of abstracts, p. 179. PR.

12. H. Klym, I. Karbovnyk, A.I. Popov. "PHYSICAL AND CHEMICAL WATER-SORPTION PROCESSES IN THE MGAL2O4 CERAMICS". Po-55, Book of abstracts, p. 189. PR.

13. Ju. Grechenkov, A. Gopejenko, D. Bocharov, A. Popov, M. Brik, S. Piskunov. "CALCULATED OPTICAL PROPERTIES OF CHALCOPYRITIC SOLID SOLUTIONS FOR PHOTOVOLTAIC APPLICATIONS". Po-80, Book of abstracts, p. 214. PR.

14. Ya. Suchikova, I. Bohdanov, S. Kovachov, A. Lazarenko, A. Moskina, T. Tsebriienko, A. Popov. "THE TECHNOLOGICAL FEATURES OF NANOSTRUCTURES FORMATION ON THE SURFACE OF INDIUM PHOSPHIDE BY ELECTROCHEMICAL ETCHING". Po-90, Book of abstracts, p. 224. PR.

15. E. Neilande, Y.-P. Lin, S. Zavatski, H. Bandarenka, A.I. Popov, S. Piskunov, D. Bocharov. "EVALUATION OF ANTIBACTERIAL PROPERTIES OF CU-DOPED TITANIUM DIOXIDE USING DFT CALCULATIONS". Po-97, Book of abstracts, p. 231. PR.

V. 7th International Workshop on Advanced Spectroscopy and Optical Materials, IWASOM (Gdańsk, Poland, 10-15 July 2022).

16. A.I. Popov, E.A. Kotomin, V.N. Kuzovkov, A. Lushchik. "Thermal annealing of radiation defects in optical and dielectric ceramics for fusion applications". INV.R.

VI. 23rd International Conference on Solid State Ionics (Boston, USA, 17-22 July 2022).

17. R. Merkle, G. Raimondi, M. Hoedl, A. Chesnokov, D. Gryaznov, E. Kotomin, J. Maier. "Mixed Proton/Hole/Oxygen Vacancy Conductors — Bulk Defect Chemistry, Transport Properties and Surface Reaction Aspects". Abstract EI08.01. INV.R.

18. P. Rosander, M. Hoedl, R. Merkle, G. Wahnstroem, E. Kotomin, J. Miaer. "Hydration Entropy of Triple Conducting Perovskites — Correlations Derived from DFT Calculations and Experimental Data". Abstract DT18.06. PR.

VII. 24th International Conference – School ADVANCED MATERIALS AND TECHNOLOGIES 2022 (Palanga, Lithuania, 22–26 August 2022).

19. A.I. Popov. "Distinctive features of diffusion-controlled defect recombination in irradiated functional ceramics for nuclear applications". INV.R.

VIII. DPG (German Physical Society) Meeting of the Condensed Matter Section (Regensburg, Germany, 4-9 September 2022).

20. A.I. Popov, E.A. Kotomin, V.N. Kuzovkov, A. Lushchik, T.A. Scherer. "Deep understanding of advanced optical and dielectric materials for fusion diagnostic applications". INV.R.

IX. E-MRS 2022 Fall Meeting (Warsaw, Poland, 19-22 September 2022).

21. A. Zachinskis, D. Bocharov, S. Piskunov, A. Platonenko, J. Purans. "First-principles calculations of F-centers and iridium impurities in gallium oxide polymorphs". M.O2.O3, Conference Programme. OR.

22. Ju. Grechenkov, A. Gopejenko, D. Bocharov, A. Popov, M. Brik, S. Piskunov. "Ab initio modelling for predicting new chalcopyrite photovoltaic materials". M.O4.O3, Conference Programme. OR.

23. M. Piasecki, G.L. Myronchuk, A. Suchocki, A. Popov, M.G. Brik, I.E. Barchiy. "Impact of composition and crystal structure on luminescence and non-linear optical properties in the mid-infrared spectral rang". M.O6.O1, Conference Programme. OR.

24. Y.-P. Lin, D. Bocharov, G. Zvejnieks, A. Popov, I. Isakovica, S. Piskunov. "NAMD simulations of Cl/TiO2(110)/water interface for photocatalytic seawater splitting". M.O6.O3, Conference Programme. OR.

25. E. Neilande, Y.-P. Lin, S. Zavatski, H. Bandarenka, A.I. Popov, S. Piskunov, D. Bocharov. "Ab initio calculations of Cu-doped TiO2 thin films for antibacterial applications". M.O6.O4, Conference Programme. OR.

26. R. Eglitis, J. Purans, R. Jia. "ABO3 perovskite as well as BaF2, CaF2 and SrF2 bulk and surface F-center first principles computations". M.O8.O3, Conference Programme. OR.

27. A. Platonenko, W.C. Mackrodt, R. Dovesi, A. Lushchik. "Calculated properties of the self-trapped exciton in diamond and related materials from DFT calculations". M.O8.O4, Conference Programme. OR.

28. Ya. Suchikova, I. Bohdanov, S. Kovachov, A.M. Moskina, T. Tsebriienko, A.I. Popov. "Characterization of Porous-CdO/Porous-CdS nanocomposite obtaining electrochemical method". M.P.4, Conference Programme. PR.

29. Ya. Suchikova, A.I. Popov, S. Kovachov, I. Bohdanov, A.M. Moskina, T. Tsebriienko. "The formation and characterization of arsenolite crystallites on GaAs surface". M.P.6, Conference Programme. PR.

30. A. Usseinov, Zh. Koishybayeva, A. Platonenko, A. Akilbekov, M. Zdorovets, A.I. Popov. "A role of intrinsic vacancy defects in electronic and optical properties of ?-Ga2O3 crystal. Ab initio LCAO study". M.P.14, Conference Programme. PR.

31. A. Lushchik, E. Feldbach, A. Krasnikov, A.I. Popov, V. Seeman, E. Shablonin. "Defect-related luminescence in fast neutron irradiated corundum crystals". M.P.16, Conference Programme. PR.

32. A. Usseinov, Zh. Karipbayev, V. Lisitsyn, A. Kozlovskiy, Zh. Koishybayeva, A. Akilbekov, M. Zdorovets, A.I. Popov. "Structural studies of the Radiation assisted synthesized gallium oxide ceramics". M.P.18, Conference Programme. PR.

33. N. Mironova-Ulmane, M.G. Brik, J. Grube, G. Krieke, A. Antuzevics, V. Skvortsova, M. Kemere, E. Elsts, A. Sarakovskis, M. Piasecki, A.I. Popov. "MgAl2O4:Cr3+ - experimental and theoretical analysis of the optical spectra". M.P.19 PR.

34. A. Podelinska, V. Serga, H. Bandarenka, S. Zavatski, A. Burko, V. Pankratov, S. Piskunov, A.I. Popov, D. Bocharov. "Structural and optical characterization of TiO2 nanocrystalline materials synthesized by different methods". M.P.23, Conference Programme. PR.

35. E. Neilande, Y.-P. Lin, S. Zavatski, H. Bandarenka, A.I. Popov, S. Piskunov, D. Bocharov. "Ab initio calculations of Cu-doped TiO2 thin films for antibacterial applications". M.P.24, Conference Programme. PR.

36. Zh.T. Karipbayev, V.M. Lisitsyn, A.B. Usseinov, A.I. Popov, M. Brik, T.A. Koketai, A. Bakytkyzy. "Structural studies of the radiation assisted synthesized gallium oxide ceramics". M.P.26, Conference Programme. PR.

37. V. Pankratova, V.A. Skuratov, O.A. Buzanov, A.A. Mololkin, A.P. Kozlova, A. Kotlov, A.I. Popov, V. Pankratov. "Radiation induced defects in cerium doped GAGG single crystals induced by swift heavy ions". M.P.27, Conference Programme. PR.

38. Zhilgildinov Zh., Karipbayev Zh.T., Lisitsyn V.M., Popov A.I., Musskhanov D.A., Bakytkyzy A., Zhunusbekov A.M. "Luminescence efficiency of YAG:Ce, Gd, Ga ceramics synthesized by radiation assisted method". M.P.28, Conference Programme. PR.

39. H. Klym, I. Karbovnyk, A.I. Popov. "Evolution of free-volume defects in the Cu0.1Ni0.8Co0.2Mn1.9O4 ceramics caused by interphase mass-transfer processes". M.P.31, Conference Programme. PR.

40. H. Klym, Kostiv, A.I. Popov. "Extended free-volume defects in doped BaTiO3 ceramics". M.P.32, Conference Programme. PR.

41. V. Pankratova, A.I. Popov, D. Bocharov, K. Chernenko, V. Pankratov. "Luminescence of cerium doped LYSO single crystals under VUV excitations". M.P.33, Conference Programme. PR.

42. V. Pankratov, V.A. Skuratov, K. Chernenko, A. Kotlov, V. Pankratova, A.I. Popov. "Study of ion induced radiation effects in optical materials using synchrotron VUV techniques". M.P.34, Conference Programme. PR.

43. H. Klym, A. Ingram, I. Karbovnyk, A.I. Popov. "Nanostructurization of free-volume defects in GeS2-Ga2S3-CsCl chalcogenide glasses studied with positron-positronium trapping al". M.P.35, Conference Programme. PR.

44. H. Klym, A. Ingram, I. Hadzaman, A.I. Popov. "Positron-positronium trapping defects near grain boundaries in the modified MgO-Al2O3 ceramics". M.P.36, Conference Programme. PR.

45. A. Kozlovskiy, D.I. Shlimas, M.V. Zdorovets, E. Popova, E. Elsts, A.I. Popov. "Investigation of the efficiency of shielding gamma and electron radiation by TeO2 - WO3 - Bi2O3 - MoO3 - SiO glasses". M.P.39, Conference Programme. PR.

46. A.I. Popov, V. Kuzovkov, E.A. Kotomin, A. Lushchik. "Radiation-induced point defects and processes in ionic oxides – where we are standing now and what we understand better". M.P.42, Conference Programme. PR.

47. E. Elsts, E. Popova, V. Kuzovkov, A. I. Popov. "Thermostimulated luminescence measurements of neutron, electron irradiated and thermochemically-reduced Y3Al5O12 and Gd3Ga5O12". M.P.43, Conference Programme. PR.

48. E. Popova, E. Elsts, A. Moskina, C. Balasubramanian, O.I. Aksimentyeva, A.I. Popov. "Cathodoluminescence study of AlN nanotube/CsI scintillator and AlN nanotube/polymer composites". M.P.44, Conference Programme. PR.

49. E. Popova, A.I. Popov. "Case analysis of self-trapped hole Vk center mobility in metal fluorides and fluoroperovskites". M.P.45, Conference Programme. PR.

X. International Conference on Collision Physics and Chemistry and their Applications, COPCA 2022 (Valletta, Malta, 31 October - 4 November 2022).

50. A.I. Popov. "Radiation defects and their thermal annealing in functional ceramics for nuclear applications". INV.R.