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Main publications
Last Update
15.10.2017

Publications:

R.A. Evarestov, D. Gryaznov, M. Arrigoni, E.A. Kotomin, A. Chesnokov and J. Maier, Use of site symmetry in supercell models of defective crystals: polarons in CeO2. - Phys. Chem. Chem. Phys., 2017, 19, p. 8340-8348.

E. Heifets, E.A. Kotomin, A.A. Bagaturyants and J. Maier, Thermodynamic stability of stoichiometric LaFeO3 and BiFeO3: a hybrid DFT study. - Phys. Chem. Chem. Phys., 2017, 19, p. 3738-3755.

O. Dumbrajs, T. Saito, and Y. Tatematsu, Start-up scenario of a high-power pulsed gyrotron for 300 GHz band collective Thomson scattering diagnostics in the Large Helical Device. - Phys. Plasmas, 2016, 23, 023106 (p. 1-8).

T.S. Bjørheim, M. Arrigoni, S.W. Saeed, E.A. Kotomin, and J. Maier, Surface segregation entropy of protons and oxygen vacancies in BaZrO3. - Chem. Mater., 2016, 28, p.1363−1368.

E. Klotins, A novel quantum field approach to photoexcited insulators. - Low Temp. Phys., 2016, 42, p. 726-732.

E.A. Kotomin, V.N. Kuzovkov, A.I. Popov, and R. Vila, Kinetics of F center annealing and colloid formation in Al2O3. - Nucl. Instr. Meth. Phys. Res. B, 2016, 374, p. 107–110.

E. Shablonin, A.I. Popov, A. Lushchik, A. Kotlov, and S. Dolgov, Excitation of different chromium centres by synchrotron radiation in MgO:Cr single crystals. - Physica B, 2015, 477, p. 133-136.

T.S. Bjørheim and E.A. Kotomin, Ab initio thermodynamics of oxygen vacancies and Zinc interstitials in ZnO. - J. Phys. Chem. Lett., 2014, 5, p. 4238−4242

D. Gryaznov, S. Baumann, E.A. Kotomin, and R. Merkle, Comparison of permeation measurements and hybrid density-functional calculations on oxygen vacancy transport in complex perovskite oxides. - J. Phys. Chem. C, 2014, 118, p. 29542−29553.

V.N. Kuzovkov and E.A. Kotomin, Static and dynamic screening effects in the electrostatic self-assembly of nano-particles. - Phys. Chem. Chem. Phys., 2014, 16, p. 25449-25460.

V.N. Kuzovkov, G. Zvejnieks, and E.A. Kotomin, Theory of non-equilibrium critical phenomena in three-dimensional condensed systems of charged mobile nanoparticles. - Phys. Chem. Chem. Phys., 2014, 16, p. 13974-13983.

G. Zvejnieks, A. Ibenskas, and E.E. Tornau, Kinetic Monte Carlo modeling of reaction-induced phase separation in Au/Ni(111) surface alloy. - Surf. Coat. Technol., 2014, 255, p. 15-21.

O. Dumbrajs and G.S. Nusinovich, Effect of electron beam misalignments on the gyrotron efficiency. - Phys. Plasmas, 2013, 20, 073105 (p.1-6).

P.K. Jha, V.N. Kuzovkov, and M. Olvera de la Cruz, Kinetic Monte Carlo simulations of flow-assisted polymerization. - ACS Macro Lett., 2012, 1, p. 1393−1397.

P.K. Jha, V.N. Kuzovkov, B.A. Grzybowski, and M. Olvera de la Cruz, Dynamic self-assembly of photo-switchable nanoparticles. - Soft Matter, 2012, 8, p. 227–234.

Review:

Kuzovkov V.N., Kotomin E.A. Kinetics of bimolecular reactions in condensed media. -Rep. on Progr. in Physics, 1988, 51, No.12, p.1479-1524.

Kotomin E.A., Kuzovkov V.A. Phenomenological theory of the recombination and accumulation kinetics of radiation defects in ionic solids. –Rep. Progr. Phys., 1992, 55, p.2079-2202.

Eglitis R., Kotomin E.A., Borstel G. Large scale computer modeling of point defects, polarons and pervoskite solid solutions. – Defects and Diffusion Forum, 2004, 226-228, p. 169-180.

Zhukovskii Yu., Kotomin E.A., Evarestov R.A., Ellis D.E. Periodic Models in Quantum Chemical Simulations of F Centers in Crystalline Metal Oxides. - Int. J. Quantum Chem., 2007, 107, p.2956-2985.

Kotomin E.A. and Popov A.I. The kinetics of radiation-induced point defect aggregation and metallic colloid formation in ionic solids. In: Radiation Effects in Solids, NATO ASI Science Series II. Physics, Chemistry and Mathematics (Eds. K. Sikafus and E.A. Kotomin), 2006, 235, p. 153-192.

Books:

E.A. Kotomin and V.N. Kuzovkov, Modern Aspects of Diffusion-Controlled Processes: Cooperative Phenomena in Bimolecular Reactions, North Holland, Elsevier Publ. (vol. 34 in a series Comprehensive Chemical Kinetics),1996. 620 p.

C.R.A. Catlow and E.A.Kotomin (eds.), Computational Materials Science, IOS press, Amsterdam, Berlin, Oxford,Tokyo, Washington,DC, 2003, 420 pp. (NATO Science series III: Computer and Systems Sciences, vol. 187).

K. Sickafus and E.A. Kotomin (eds.), Radiation Effects in Solids, 2006, NATO ASI Science Series II. Physics, Chemistry and Mathematics, Vol. 235.

Chapters in Scientific Books:

V.N. Kuzovkov, Aggregation and Structure Formation in Reaction-Diffusion Processes in Chemical Systems. — Book chapter 8 in: Aggregation phenomena in complex systems, (Eds. J. Schmelzer, G. Röpke, R. Mahnke (Weinheim: Wiley-VCH, 1999), p. 205-239.

V.N. Kuzovkov, E.A. Kotomin, G. Zvejnieks, K.D. Li, T.H. Ding, L.M. Wang, Void Superlattice Formation in Electron Irradiated Insulating Materials.—Book chapter 11 in: Advances in Materials Science Research, vol. 2, 2011, pp. 191-216 (Nova Science Publishers, ed. Maryann C. Wythers).

E. Heifets, E.A. Kotomin, Yu.A. Mastrikov, S. Piskunov, and J. Maier, Thermodynamics of ABO3-type perovskite surface. —Book chapter in: Thermodynamics - Interaction studies - Solids, liquids and gases (InTech Open Access Publishers), 2011, p. 491-518.

E.A. Kotomin, R. Merkle, Yu.A. Mastrikov, M.M. Kuklja, and J. Maier, Energy Conversion: Solid Oxide Fuel Cells. First-Principles Modeling of Elementary Processes. - Chapter 6 in book: Computational Approaches to Energy Materials (eds. A.Walsch, A.Sokol, C.R.A. Catlow, Wiley), 2013, p. 149-186.

M. Arrigoni, E.A. Kotomin, and J. Maier, Large scale modeling of defects in advanced oxides: Oxygen vacancies in BaZrO3 crystals. - Chapter in a book: High Performance Computing in Science and Engineering (eds. W. Nagel et al., Springer, Switzerland), 2016, p. 187-198.