2019


I. 35th ISSP Scientific Conference (Riga, Latvia, 20-22 February 2019).

1. A. Gopejenko, Yu. Zhukovskii, Yu.A. Mastrikov, S. Piskunov, P.V. Vladimirov, E.A. Kotomin, A. Möslang. "THE FIRST PRINCIPLE CALCULATIONS OF THE Y, Ti, O, AND VFe INTERACTIONS INSIDE THE fcc-FE LATTICE IN SUPPORT OF ODS PARTICLE FORMATION". Abstract: p. 42. OR.

2. E. Klotins. "ELECTRONIC PROCESSES IN SOLID STATE: DIRAC FRAMEWORK". Abstract: p. 52. OR.

3. D. Bocharov, J. Timoshenko, A. Anspoks, A. Kalinko, A. Kuzmin, M. Krack. "AB INITIO MOLECULAR DYNAMICS CALCULATIONS OF Cu3N TEMPERATURE DEPENDENT STRUCTURAL PROPERTIES". Abstract: p. 53. OR.

4. O. Lisovski, S. Piskunov, D. Bocharov, S. Kenmoe, E. Spohr. "VALIDATION OF 2D CONSTRAINED MODELS FOR TiO2 NANOTUBES OVER A BROAD RANGE OF DIAMETERS". Abstract: p. 54. OR.

5. J. Kleperis, Yu. Zhukovskii, S. Piskunov, M. Sokolov. "THE MECHANISM OF THE ELECTROCATALYTIC REACTION OF CO2 REFORMATION ON GRAPHENE/Cu ELECTRODE". Abstract: p. 62. PR.

6. A. Česnokovs, D. Gryaznov, N.V. Skorodumova. "EXPLORING STRUCTURE OF DEFECTIVE ZINC OXIDE". Abstract: p. 78. PR.

7. D. Zablotsky, V. Kuzovkov, E. Kotomin. "FEATURES OF MORPHOLOGY IN GLASSY LAYERS OF PEROVSKITE NANOCUBES". Abstract: p. 79. PR.

8. A. Česnokovs, D. Gryaznov, E. Kotomin. "FIRST PRINCIPLES CALCULATIONS ON CeO2 DOPED WITH Tb3+ IONS". Abstract: p. 80. PR.

9. D. Zavickis, G. Zvejnieks, D. Gryaznov, E. Kotomin. "CHARACTERIZATION OF Fe AND Co ION MAGNETIC STATES IN (Ba,La)(Fe,Co)O3 PEROVSKITES". Abstract: p. 81. PR.

10. Yu.A. Mastrikov, M.N. Sokolov, Yu.F. Zhukovskii, E.A.Kotomin, P.V. Vladimirov. "AB INITIO STUDY OF TITANIUM IMPURITIES IN ODS STEELS". Abstract: p. 82. PR.

11. L.L. Rusevich, G. Zvejnieks, E.A. Kotomin. "COMPUTER SIMULATIONS OF PEROVSKITE SOLID SOLUTIONS AND HETEROSTRUCTURES FROM FIRST PRINCIPLES". Abstract: p. 83. PR.

12. V. Kuzovkov, A. Popov, A. Lushchik, E. Kotomin. "MODELLING OF DEFECT ANNEALING IN IRRADIATED OXIDES". Abstract: p. 84. PR.

13. A. Popov, E. Kotomin, A. Moskina, M. Putnina, V. Kuzovkov. "COMPARISON OF F-TYPE CENTERS THERMAL ANNEALING IN NEUTRON IRRADIATED AND THERMOCHEMICALLY REDUCED BeO". Abstract: p. 85. PR.

II. International Conference "Non-Stoichiometric Compounds VII" (Phoenix Seagaia Resort, Miyazaki (Kyushu Island), Japan, 10-14 March 2019).

14. T.S. Bjorheim, M. Hoedl, E.A. Kotomin, R. Merkle, J. Maier. "Defect thermodynamics and lattice site basicity in mixed conducting oxides". OR.

15. M. Hoedl, R. Merkle, E.A. Kotomin, J. Maier. "Proton uptake in the mixed ionic and electronic conductors Ba1-xSrxFeO3". PR.

III. 16th Symposium on Modeling and Experimental Validation of Electrochemical Energy Technologies ModVal-2019 (Braunschweig, Germany, 12-13 March 2019).

16. D. Gryaznov, M.F. Hoedl, R. Merkle, E.A. Kotomin, J. Maier. "DFT+U calculations of protonic defects in (Ba,Sr)FeO3-delta". Abstract: p. 50. OR.