Ab initio modeling of surface structure for SrTiO 3 perovskite crystals E Heifets, RI Eglitis, EA Kotomin, J Maier, G Borstel
Physical Review B 64 (23), 235417, 2001
327 2001 Radiation-induced point defects in simple oxides EA Kotomin, AI Popov
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 1998
320 1998 Kinetics of bimolecular reactions in condensed media: critical phenomena and microscopic self-organisation V Kuzovkov, E Kotomin
Reports on Progress in Physics 51 (12), 1479, 1988
318 1988 Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells MM Kuklja, EA Kotomin, R Merkle, YA Mastrikov, J Maier
Physical chemistry chemical physics 15 (15), 5443-5471, 2013
282 2013 Radiation effects in solids AF Voter, KE Sickafus, EA Kotomin, BP Uberuaga
NATO Science Series (Springer, Berlin, 2007) 1, 2007
279 2007 Evidence for interfacial-storage anomaly in nanocomposites for lithium batteries from first-principles simulations YF Zhukovskii, P Balaya, EA Kotomin, J Maier
Physical review letters 96 (5), 058302, 2006
240 2006 Hybrid DFT calculations of the atomic and electronic structure for ABO3 perovskite (0 0 1) surfaces S Piskunov, EA Kotomin, E Heifets, J Maier, RI Eglitis, G Borstel
Surface Science 575 (1-2), 75-88, 2005
223 2005 Nano-ionics in the context of lithium batteries P Balaya, AJ Bhattacharyya, J Jamnik, YF Zhukovskii, EA Kotomin, ...
Journal of Power Sources 159 (1), 171-178, 2006
216 2006 Pathways for Oxygen Incorporation in Mixed Conducting Perovskites: A DFT-Based Mechanistic Analysis for (La, Sr)MnO3−δ YA Mastrikov, R Merkle, E Heifets, EA Kotomin, J Maier
The Journal of Physical Chemistry C 114 (7), 3017-3027, 2010
206 2010 Modern aspects of diffusion-controlled reactions: Cooperative phenomena in bimolecular processes E Kotomin, V Kuzovkov
Elsevier, 1996
206 1996 First-principles calculations of the atomic and electronic structure of centers in the bulk and on the (001) surface of J Carrasco, F Illas, N Lopez, EA Kotomin, YF Zhukovskii, RA Evarestov, ...
Physical Review B 73 (6), 064106, 2006
202 2006 Basic properties of the F-type centers in halides, oxides and perovskites AI Popov, EA Kotomin, J Maier
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2010
200 2010 Jahn-Teller distortion around Fe 4+ in Sr (Fe x Ti 1− x) O 3− δ from X-ray absorption spectroscopy, X-ray diffraction, and vibrational spectroscopy M Vračar, A Kuzmin, R Merkle, J Purans, EA Kotomin, J Maier, O Mathon
Physical Review B 76 (17), 174107, 2007
164 2007 First-principles calculations for SrTiO3 (100) surface structure E Heifets, RI Eglitis, EA Kotomin, J Maier, G Borstel
Surface science 513 (1), 211-220, 2002
153 2002 Calculations of the effective diffusion coefficient for inhomogeneous media JR Kalnin, EA Kotomin, J Maier
Journal of physics and chemistry of solids 63 (3), 449-456, 2002
149 2002 Semi-empirical simulations of surface relaxation for perovskite titanates E Heifets, EA Kotomin, J Maier
Surface science 462 (1-3), 19-35, 2000
148 2000 Adsorption of atomic and molecular oxygen on the LaMnO 3 (001) surface: ab initio supercell calculations and thermodynamics EA Kotomin, YA Mastrikov, E Heifets, J Maier
Physical Chemistry Chemical Physics 10 (31), 4644-4649, 2008
146 2008 Calculations of the ground and excited states of F-type centers in corundum crystals A Stashans, E Kotomin, JL Calais
Physical Review B 49 (21), 14854, 1994
143 1994 Formation and migration of oxygen vacancies in La 1− x Sr x Co 1− y Fe y O 3− δ perovskites: insight from ab initio calculations and comparison with Ba 1− x Sr x Co 1− y Fe y O … YA Mastrikov, R Merkle, EA Kotomin, MM Kuklja, J Maier
Physical chemistry chemical physics 15 (3), 911-918, 2013
135 2013 Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces YA Mastrikov, E Heifets, EA Kotomin, J Maier
Surface Science 603 (2), 326-335, 2009
126 2009