E. A. Kotomin

Research interests

Publications

• Atomic, electronic and magnetic structure of an oxygen interstitial in neutron-irradiated Al2O3 single crystals

  Scientific Reports · 2020 · 10.1038/s41598-020-72958-9

• Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells

  Physical Chemistry Chemical Physics · 2013 · https://doi.org/10.1039/c3cp44363a

• 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 3−δ

  Physical Chemistry Chemical Physics · 2012 · 10.1039/c2cp43557h

• Oxygen exchange kinetics on solid oxide fuel cell cathode materials—general trends and their mechanistic interpretation

  Journal of materials research/Pratt's guide to venture capital sources · 2012 · 10.1557/jmr.2012.186

• Pathways for Oxygen Incorporation in Mixed Conducting Perovskites: A DFT-Based Mechanistic Analysis for (La, Sr)MnO3−δ

  The Journal of Physical Chemistry C · 2010 · 10.1021/jp909401g

• Basic properties of the F-type centers in halides, oxides and perovskites

  Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms · 2010 · 10.1016/j.nimb.2010.05.053

• First-principles study of bulk and surface oxygen vacancies in SrTiO3 crystal

  The European Physical Journal B · 2009 · 10.1140/epjb/e2009-00339-4

• Adsorption of atomic and molecular oxygen on the LaMnO3(001) surface: ab initio supercell calculations and thermodynamics

  Physical Chemistry Chemical Physics · 2008 · 10.1039/b804378g

• Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces

  Surface Science · 2008 · 10.1016/j.susc.2008.11.034

• Electronic structure and thermodynamic stability of double-layered SrTiO3(001) surfaces:Ab initiosimulations

  Physical Review B · 2007 · 10.1103/physrevb.75.115417

• Radiation Effects in Solids

  Journal · 2007 · https://doi.org/10.1007/978-1-4020-5295-8

• Jahn-Teller distortion around Fe4+ in Sr(FexTi1−x)O3−δ from x-ray absorption spectroscopy, x-ray diffraction, and vibrational spectroscopy

  Physical Review B · 2007 · https://doi.org/10.1103/physrevb.76.174107

• Evidence for Interfacial-Storage Anomaly in Nanocomposites for Lithium Batteries from First-Principles Simulations

  Physical Review Letters · 2006 · 10.1103/physrevlett.96.058302

• Nano-ionics in the context of lithium batteries

  Journal of Power Sources · 2006 · 10.1016/j.jpowsour.2006.04.115

• First-principles calculations of the atomic and electronic structure of F centers in the bulk and on the (001) surface of Sr Ti O 3

  Physical Review B · 2006 · 10.1103/physrevb.73.064106

• Hybrid DFT calculations of the atomic and electronic structure for ABO3 perovskite (001) surfaces

  Surface Science · 2004 · 10.1016/j.susc.2004.11.008

• Calculations of the effective diffusion coefficient for inhomogeneous media

  Journal of Physics and Chemistry of Solids · 2002 · 10.1016/s0022-3697(01)00159-7

• First-principles calculations for SrTiO3() surface structure

  Surface Science · 2002 · 10.1016/s0039-6028(02)01730-2

• Ab initiomodeling of surface structure for SrTiO3 perovskite crystals

  Physical review. B, Condensed matter · 2001 · https://doi.org/10.1103/physrevb.64.235417

• Semi-empirical simulations of surface relaxation for perovskite titanates

  Surface Science · 2000 · 10.1016/s0039-6028(00)00603-8

• First-principles and semiempirical calculations for bound-hole polarons in KNbO3

  Physical review. B, Condensed matter · 1999 · 10.1103/physrevb.60.1

• Radiation-induced point defects in simple oxides

  Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms · 1998 · 10.1016/s0168-583x(98)00079-2

• Atomic and electronic structure of the corundum (0001) surface: comparison with surface spectroscopies

  Surface Science · 1997 · 10.1016/s0039-6028(96)00971-5

• Calculations of the ground and excited states ofF-type centers in corundum crystals

  Physical review. B, Condensed matter · 1994 · 10.1103/physrevb.49.14854

• Kinetics of bimolecular reactions in condensed media: critical phenomena and microscopic self-organisation

  Reports on Progress in Physics · 1988 · https://doi.org/10.1088/0034-4885/51/12/001

Current projects

No projects listed.