2023


I. COST action 18234 Conference "Design The Future: Electro-, Photo- and Thermochemical water splitting" (Brussels, Belgium, 20-22 February 2023).

1. E.A. Kotomin. "The perovskite band engineering for photostimulated water splitting". OR.

2. Yu.A. Mastrikov. "Water splitting on stepped SrTiO3 surface". OR.

3. V. Krasnenko. "Ab initio calculations of the Raman spectra of thin SrTiO3 films". OR.

II. E-MRS 2023 Spring Meeting (Strasbourg, France, 29 May - 2 June 2023).

4. E.A. Kotomin, D. Moia, J. Maier. "First-principles calculations of defects in CsPbX3 (X = Br, I) crystals for photovoltaic applications". D2_13_571, Conference Program. OR.

5. A. ńĆesnokovs. "Atomistic insight into proton migration barriers in BaFeO(3-d)". A11_365, Conference Program. OR.

6. Yu.A. Mastrikov. "Hydrogen and oxygen evolution reactions on stepped SrTiO3 surface". D1_15_572, Conference Program. OR.

7. E.A. Kotomin, L.L. Rusevich, G. Zvejnieks, Yu. Mastrikov, M. Sokolov. "The perovskite band gap engineering for photostimulated water splitting". D_P03_69_570, Conference Program. PR.

8. Yu.A. Mastrikov. "First principles calculations of oxygen vacancies and protonic defects in Sr2FeO4+/-d". A_P01_42_532, Conference Program. PR.

9. L.L. Rusevich, E.A. Kotomin, M. Tyunina. "The electronic and dielectric properties of SrTiO3 perovskite crystals with oxygen vacancies and nitrogen impurities: First principles simulations". E_P_10_753, Conference Program. PR.

10. L.L. Rusevich, G. Zvejnieks, E.A. Kotomin, A.I. Popov, T. Scherer. "First principles calculations of the electronic, vibrational and dielectric properties of defective diamond". R_P_05_754, Conference Program. PR.

11. D. Bocharov. "Porous polymer membrane modified with pure and copper-doped titanium dioxide for filtering and light facilitated bacteria sterilization". C_P01_41_2570, Conference Program. PR.

12. S. Piskunov. "Time dependent density functional theory calculations of semiconducting materials for efficient visible light driven photocatalytical water splitting and photovoltaics". P_P_54_2141, Conference Program. PR.

13. E. Neilande. "Ab initio calculations of OH- group adsorption on TiO2 surface". C_P01_34_2283, Conference Program. PR.

III. Defect chemistry workshop "Petite XII" (France, September 2023).

14. R. Merkle, M.F. Hoedl, G. Raimondi, C. Berger, E.A. Kotomin, J. Maier. "Proton mobility in triple-conducting perovskites". OR.

IV. The 21st International Conference Solid State Protonic Conductors SSPC-21 (Fukuoka, Japan, 17-22 September 2023).

15. R. Merkle, M.F. Hoedl, G. Raimondi, C. Berger, E.A. Kotomin, J. Maier. "Proton concentration and mobility in triple-conducting perovskites". INV.R.

V. EMRS-2023 Fall Meeting (Warsaw, Poland, 18-21 September 2023).

16. G. Zvejnieks. "Combined first-principles and group-theoretical studies of the Jahn-Teller distortion in ferromagnetic Sr2FeO4". Abstract book, p.35. PR.

VI. 3rd ELSICS workshop and Bunsen-Colloquium "Energy Landscapes and Structure in Ion Conducting Solids" (Magburg, Germany, 4-6 October, 2023).

17. R. Merkle, M.F. Hoedl, A. Chesnokov, D. Gryaznov, E.A. Kotomin, J. Maier. "Energy landscape and proton mobility in triple-conducting BaFeO3-d perovskites". OR.

VII. 26th workshop on High Performance Computing in Science and Engineering (Stuttgart, Germany, 12-13 October 2023).

18. M.Sokolov, Yu.Mastrikov, E.Kotomin, J.Maier. "Large scale ab initio modelling of hydrogen production on stepped surfaces of SrTiO3 nanoparticles". OR.

VIII. 21st International Conference on Fusion Reactor Materials ICFRM21 (Granada, Spain, 22-27 October 2023).

19. V. Kuzovkov, E. Kotomin, R. Vila. "Theoretical analysis of thermal annealing kinetics of radiation defects in silica". Book of Abstracts, p.482  (topic H - P46). PR.