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

16. 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.

17. 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.