Aksyonov Dmitry
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Titanium-based potassium-ion battery positive electrode with extraordinarily high redox potential
SS Fedotov, ND Luchinin, DA Aksyonov, AV Morozov, SV Ryazantsev, ...
Nature communications 11 (1), 1-11, 2020
Understanding migration barriers for monovalent ion insertion in transition metal oxide and phosphate based cathode materials: a DFT study
DA Aksyonov, SS Fedotov, KJ Stevenson, A Zhugayevych
Computational Materials Science 154, 449-458, 2018
Reversible facile Rb+ and K+ ions de/insertion in a KTiOPO 4-type RbVPO 4 F cathode material
SS Fedotov, AS Samarin, VA Nikitina, DA Aksyonov, SA Sokolov, ...
Journal of Materials Chemistry A 6 (29), 14420-14430, 2018
Ab initio-based prediction and TEM study of silicide precipitation in titanium
DO Poletaev, AG Lipnitskii, AI Kartamyshev, DA Aksyonov, ES Tkachev, ...
Computational Materials Science 95, 456-463, 2014
Bifunctional OER/ORR catalytic activity in the tetrahedral YBaCo 4 O 7.3 oxide
MA Kirsanova, VD Okatenko, DA Aksyonov, RP Forslund, JT Mefford, ...
Journal of Materials Chemistry A 7 (1), 330-341, 2019
Interaction of Ti and Cr atoms with point defects in bcc vanadium: A DFT study
AO Boev, DA Aksyonov, AI Kartamyshev, VN Maksimenko, IV Nelasov, ...
Journal of Nuclear Materials 492, 14-21, 2017
< i> Ab initio</i> study of Ti–C precipitates in hcp titanium: Formation energies, elastic moduli and theoretical diffraction patterns
DA Aksyonov, AG Lipnitskii, YR Kolobov
Computational Materials Science 65, 434-441, 2012
The role of semilabile oxygen atoms for intercalation chemistry of the metal-ion battery polyanion cathodes
IV Tereshchenko, DA Aksyonov, OA Drozhzhin, IA Presniakov, ...
Journal of the American Chemical Society 140 (11), 3994-4003, 2018
β-NaVP2O7 as a Superior Electrode Material for Na-Ion Batteries
OA Drozhzhin, IV Tertov, AM Alekseeva, DA Aksyonov, KJ Stevenson, ...
Chemistry of Materials 31 (18), 7463-7469, 2019
Hydrogen solubility in hcp titanium with the account of vacancy complexes and hydrides: A DFT study
DO Poletaev, DA Aksyonov, DD Vo, AG Lipnitskii
Computational Materials Science 114, 199-208, 2016
Grain boundary segregation of C, N and O in hexagonal close-packed titanium from first principles
DA Aksyonov, AG Lipnitskii, YR Kolobov
Modelling and Simulation in Materials Science and Engineering 21 (7), 075009, 2013
The impact of carbon and oxygen in alpha-titanium: ab initio study of solution enthalpies and grain boundary segregation
DA Aksyonov, T Hickel, J Neugebauer, AG Lipnitskii
Journal of Physics: Condensed Matter 28 (38), 385001, 2016
“Hydrotriphylites” Li1–xFe1+x(PO4)1–y(OH)4y as Cathode Materials for Li-ion Batteries
VD Sumanov, DA Aksyonov, OA Drozhzhin, I Presniakov, AV Sobolev, ...
Chemistry of Materials 31 (14), 5035-5046, 2019
The unique hybrid precipitate in a peak-aged Al-Cu-Mg-Ag alloy
MR Gazizov, AO Boev, CD Marioara, SJ Andersen, R Holmestad, ...
Scripta Materialia 194, 113669, 2021
Angular dependent interatomic potential for Ti-V system for molecular dynamics simulations
AI Kartamyshev, AG Lipnitskii, A Boev, I Nelasov, VN Maksimenko, ...
Modelling and Simulation in Materials Science and Engineering, 2020
Solubility and grain boundary segregation of iron in hcp titanium: A computational study
DA Aksyonov, AG Lipnitskii
Computational Materials Science 137, 266-272, 2017
Exploring the Origin of the Superior Electrochemical Performance of Hydrothermally Prepared Li-Rich Lithium Iron Phosphate Li1+δFe1−δPO4
OA Drozhzhin, AV Sobolev, VD Sumanov, IS Glazkova, DA Aksyonov, ...
The Journal of Physical Chemistry C 124 (1), 126-134, 2019
Tuning the Crystal Structure of A2CoPO4F (A = Li, Na) Fluoride‐Phosphates: A New Layered Polymorph of LiNaCoPO4F
SS Fedotov, DA Aksyonov, AS Samarin, OM Karakulina, J Hadermann, ...
European Journal of Inorganic Chemistry 2019 (39-40), 4365-4372, 2019
High-throughput computational screening of cathode materials for Li-O2 battery
AO Boev, SS Fedotov, KJ Stevenson, DA Aksyonov
Computational Materials Science 197, 110592, 2021
The role of antisite defect pairs in surface reconstruction of layered AMO2 oxides: A DFT+ U study
AO Boev, SS Fedotov, AM Abakumov, KJ Stevenson, G Henkelman, ...
Applied Surface Science 537, 147750, 2020
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