| Phonon calculations in cubic and tetragonal phases of SrTiO: A comparative LCAO and plane-wave study RA Evarestov, E Blokhin, D Gryaznov, EA Kotomin, J Maier Physical Review B 83 (13), 134108, 2011 | 113 | 2011 |
| Comparative density-functional LCAO and plane-wave calculations of surfaces RA Evarestov, EA Kotomin, YA Mastrikov, D Gryaznov, E Heifets, J Maier Physical Review B 72 (21), 214411, 2005 | 112 | 2005 |
| Ab initio DFT+ U study of He atom incorporation into UO 2 crystals D Gryaznov, E Heifets, E Kotomin Physical Chemistry Chemical Physics 11 (33), 7241-7247, 2009 | 94 | 2009 |
| A Comparative Ab Initio Thermodynamic Study of Oxygen Vacancies in ZnO and SrTiO3: Emphasis on Phonon Contribution D Gryaznov, E Blokhin, A Sorokine, EA Kotomin, RA Evarestov, ... The Journal of Physical Chemistry C 117 (27), 13776-13784, 2013 | 90 | 2013 |
| The first-principles treatment of the electron-correlation and spin–orbital effects in uranium mononitride nuclear fuels D Gryaznov, E Heifets, E Kotomin Physical Chemistry Chemical Physics 14 (13), 4482-4490, 2012 | 88 | 2012 |
| Density functional theory calculations on magnetic properties of actinide compounds D Gryaznov, E Heifets, D Sedmidubsky Physical Chemistry Chemical Physics 12 (38), 12273-12278, 2010 | 67 | 2010 |
| Jahn-Teller effect in the phonon properties of defective SrTiO from first principles R Evarestov, E Blokhin, D Gryaznov, EA Kotomin, R Merkle, J Maier Physical Review B 85 (17), 174303, 2012 | 62 | 2012 |
| Thermodynamic properties of neutral and charged oxygen vacancies in BaZrO 3 based on first principles phonon calculations TS Bjørheim, M Arrigoni, D Gryaznov, E Kotomin, J Maier Physical Chemistry Chemical Physics 17 (32), 20765-20774, 2015 | 55 | 2015 |
| Quantitative model of electrochemical Ostwald ripening and its application to the time-dependent electrode potential of nanocrystalline metals A Schröder, J Fleig, D Gryaznov, J Maier, W Sitte The Journal of Physical Chemistry B 110 (25), 12274-12280, 2006 | 45 | 2006 |
| Ab initio modelling of oxygen vacancies and protonic defects in La 1− x Sr x FeO 3− δ perovskite solid solutions D Gryaznov, R Merkle, EA Kotomin, J Maier Journal of materials chemistry A 4 (34), 13093-13104, 2016 | 40 | 2016 |
| Thermodynamic stability and disordering in LacSr1− cMnO3 solid solutions D Fuks, L Bakaleinikov, EA Kotomin, J Felsteiner, A Gordon, ... Solid State Ionics 177 (3-4), 217-222, 2006 | 39 | 2006 |
| DFT calculations of point defects on UN (001) surface D Bocharov, D Gryaznov, YF Zhukovskii, EA Kotomin Surface science 605 (3-4), 396-400, 2011 | 36 | 2011 |
| Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and sub-surface vacancies D Bocharov, D Gryaznov, YF Zhukovskii, EA Kotomin Journal of nuclear materials 416 (1-2), 200-204, 2011 | 35 | 2011 |
| Finite element simulation of diffusion into polycrystalline materials D Gryaznov, J Fleig, J Maier Solid State Sciences 10 (6), 754-760, 2008 | 35 | 2008 |
| Interdependence of Oxygenation and Hydration in Mixed-Conducting (Ba,Sr)FeO3−δ Perovskites Studied by Density Functional Theory MF Hoedl, D Gryaznov, R Merkle, EA Kotomin, J Maier The Journal of Physical Chemistry C 124 (22), 11780-11789, 2020 | 34 | 2020 |
| Helium behavior in oxide nuclear fuels: First principles modeling D Gryaznov, S Rashkeev, EA Kotomin, E Heifets, Y Zhukovskii Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2010 | 34 | 2010 |
| Oxygen vacancy formation energies in Sr-doped complex perovskites: ab initio thermodynamic study D Gryaznov, MW Finnis, RA Evarestov, J Maier Solid State Ionics 254, 11-16, 2014 | 31 | 2014 |
| Technological limitations and processing-generated defects at the development of pixel and strip arrays V Gostilo, D Gryaznov, I Lisjutin Nuclear Instruments and Methods in Physics Research Section A: Accelerators …, 2002 | 31 | 2002 |
| Comparison of permeation measurements and hybrid density-functional calculations on oxygen vacancy transport in complex perovskite oxides D Gryaznov, S Baumann, EA Kotomin, R Merkle The Journal of Physical Chemistry C 118 (51), 29542-29553, 2014 | 30 | 2014 |
| Hybrid density-functional calculations of phonons in D Gryaznov, RA Evarestov, J Maier Physical Review B 82 (22), 224301, 2010 | 25 | 2010 |
