2024

• Mechanism of charge transfer at interfaces: A density functional theory study,

  Burov, Arseniy S, Boev, Anton O, Abakumov, Artem M, and Aksyonov, Dmitry A

  Physical Review B, 109, 045305, 2024. (view online) [bib]

• Effect of the Cu additives on strain-induced coarsening of the Laves phase in Re-containing 10% Cr–3% Co martensitic steels,

  Fedoseeva, A, Klauz, A, Iskandarov, N, Boev, A, Aksyonov, D, and Kaibyshev, R

  Materials Science and Engineering: A, 146306, 2024. (view online) [bib]

• Designing a 3D framework NaVOPO4 as a high-power, low-strain and long-life positive electrode material for Na-ion batteries,

  Shraer, Semyon, Dembitskiy, Artem, Trussov, Ivan, Komayko, Alena, Aksyonov, Dmitry, Luchinin, Nikita, Morozov, Anatolii, Pollastri, Simone, Aquilanti, Giuliana, Ryazantsev, Sergey, Nikitina, Victoria, Abakumov, Artem, Antipov, Evgeny, and Fedotov, Stanislav

  Energy Storage Materials, 103358, 2024. (view online) [bib]

2023

• Comprehensive analysis of boron-induced modification in LiNi0. 8Mn0. 1Co0. 1O2 positive electrode material for lithium-ion batteries,

  Skvortsova, Irina A, Orlova, Elena D, Boev, Anton O, Aksyonov, Dmitry A, Moiseev, Ivan, Pazhetnov, Egor M, Savina, Aleksandra A, and Abakumov, Artem M

  Journal of Power Sources, 583, 233571, 2023. (view online) [bib]

• NaGaPO 4 F–a KTiOPO 4-structured solid sodium-ion conductor,

  Marshenya, Sergey N, Dembitskiy, Artem D, Fedorov, Dmitry S, Scherbakov, Alexey G, Trussov, Ivan A, Emelianova, Olga, Aksyonov, Dmitry A, Buzlukov, Anton L, Zhuravlev, Nikolai A, Denisova, Tatiana A, Medvedeva, Nadezhda I, Abakumov, Artem M, Antipov, Evgeny V, and Fedotov, Stanislav S

  Dalton Transactions, 52, 17426-17437, 2023. (view online) [bib]

• Weak segregation and accelerated diffusion of Li at twin boundaries in Cu from DFT: Implications for current collectors in Li-ion batteries,

  Kartamyshev, AI, Poletaev, DO, Boev, AO, and Aksyonov, DA

  Computational Materials Science, 230, 112517, 2023. (view online) [bib]

• Computational insights into ionic conductivity of transition metal electrode materials for metal-ion batteries-A review,

  Aksyonov, DA, Boev, AO, Fedotov, SS, and Abakumov, AM

  393, 116170, 2023. (view online) [bib]

• A Comprehensive Review of Defects Genealogy in Olivines: From the Mineral World to Modern Electrode Materials,

  Nazarov, Eugene E, Aksyonov, Dmitry A, Antipov, Evgeny V, and Fedotov, Stanislav S

  16, 5083, 2023. (view online) [bib]

2022

• NH4+-based frameworks as a platform for designing electrodes and solid electrolytes for Na-ion batteries: A screening approach,

  Dembitskiy, Artem D, Aksyonov, Dmitry A, Abakumov, Artem M, and Fedotov, Stanislav S

  Solid State Ionics, 374, 115810, 2022. (view online) [bib]

• Development of vanadium-based polyanion positive electrode active materials for high-voltage sodium-based batteries,

  Shraer, Semyon D, Luchinin, Nikita D, Trussov, Ivan A, Aksyonov, Dmitry A, Morozov, Anatoly V, Ryazantsev, Sergey V, Iarchuk, Anna R, Morozova, Polina A, Nikitina, Victoria A, Stevenson, Keith J, Antipov, Evgeny V, Abakumov, Artem M, and Fedotov, Stanislav S

  Nature Communications, 13, 4097, 2022. (view online) [bib]

• Chemistry, Local Molybdenum Clustering, and Electrochemistry in the Li2+xMo1–xO3 Solid Solutions,

  Savina, Aleksandra A, Saiutina, Viktoriia V, Morozov, Anatolii V, Boev, Anton O, Aksyonov, Dmitry A, Dejoie, Catherine, Batuk, Maria, Bals, Sara, Hadermann, Joke, and Abakumov, Artem M

  Inorganic Chemistry, 61, 5637-5652, 2022. (view online) [bib]

• Retardation of structure densification by increasing covalency in Li-rich layered oxide positive electrodes for Li-ion batteries,

  Morozov, Anatolii V, Moiseev, Ivan A, Savina, Aleksandra A, Boev, Anton O, Aksyonov, Dmitry A, Zhang, Leiting, Morozova, Polina A, Nikitina, Victoria A, Pazhetnov, Egor M, Berg, Erik J, Fedotov, Stanislav S, Tarascon, Jean-Marie, Antipov, Evgeny V, and Abakumov, Artem M

  Chemistry of Materials, 34, 6779-6791, 2022. (view online) [bib]

• Charge storage mechanisms of a π–d conjugated polymer for advanced alkali-ion battery anodes,

  Kapaev, Roman R, Zhugayevych, Andriy, Ryazantsev, Sergey V, Aksyonov, Dmitry A, Novichkov, Daniil, Matveev, Petr I, and Stevenson, Keith J

  Chemical Science, 13, 8161-8170, 2022. (view online) [bib]

• Thermodynamics as a Driving Factor of LiCoO2 Grain Growth on Nanocrystalline Ta-LLZO Thin Films for All-Solid-State Batteries,

  Morozov, Anatolii V, Paik, Haemin, Boev, Anton O, Aksyonov, Dmitry A, Lipovskikh, Svetlana A, Stevenson, Keith J, Rupp, Jennifer LM, and Abakumov, Artem M

  ACS Applied Materials & Interfaces, 14, 39907-39916, 2022. (view online) [bib]

• Cycling-driven electrochemical activation of Li-rich NMC positive electrodes for Li-ion batteries,

  Luchkin, Sergey Yu, Kirsanova, Maria A, Aksyonov, Dmitry A, Lipovskikh, Svetlana A, Nikitina, Victoria A, Abakumov, Artem M, and Stevenson, Keith J

  ACS Applied Energy Materials, 5, 7758-7769, 2022. (view online) [bib]

2021

• Self-point defect trapping responsible for radiation swelling reduction in V–Ti alloys,

  Boev, AO, Nelasov, IV, Lipnitskii, AG, Kartamyshev, AI, and Aksyonov, DA

  Solid State Communications, 329, 114252, 2021. (view online) [bib]

• The unique hybrid precipitate in a peak-aged Al-Cu-Mg-Ag alloy,

  Gazizov, MR, Boev, AO, Marioara, Calin Daniel, Andersen, Sigmund Jarle, Holmestad, Randi, Kaibyshev, RO, Aksyonov, DA, and Krasnikov, VS

  Scripta Materialia, 194, 113669, 2021. (view online) [bib]

• Precipitate/matrix incompatibilities related to the 111 Al Ω plates in an Al-Cu-Mg-Ag alloy,

  Gazizov, MR, Boev, AO, Marioara, Calin Daniel, Holmestad, Randi, Aksyonov, DA, Gazizova, M Yu, and Kaibyshev, RO

  Materials Characterization, 182, 111586, 2021. (view online) [bib]

• Hydroxyl Defects in LiFePO4 Cathode Material: DFT+U and an Experimental Study,

  Aksyonov, Dmitry A, Varlamova, Irina, Trussov, Ivan A, Savina, Aleksandra A, Senyshyn, Anatoliy, Stevenson, Keith J, Abakumov, Artem M, Zhugayevych, Andriy, and Fedotov, Stanislav S

  Inorganic chemistry, 60, 5497-5506, 2021. (view online) [bib]

• α-TiPO4 as a Negative Electrode Material for Lithium-Ion Batteries,

  Luchinin, Nikita D, Aksyonov, Dmitry A, Morozov, Anatoly V, Ryazantsev, Sergey V, Nikitina, Victoria A, Abakumov, Artem M, Antipov, Evgeny V, and Fedotov, Stanislav S

  Inorganic Chemistry, 60, 12237-12246, 2021. (view online) [bib]

• High-throughput computational screening of cathode materials for Li-O2 battery,

  Boev, AO, Fedotov, SS, Stevenson, KJ, and Aksyonov, DA

  Computational Materials Science, 197, 110592, 2021. (view online) [bib]

• The role of antisite defect pairs in surface reconstruction of layered AMO2 oxides: A DFT+ U study,

  Boev, AO, Fedotov, SS, Abakumov, AM, Stevenson, KJ, Henkelman, G, and Aksyonov, DA

  Applied Surface Science, 537, 147750, 2021. (view online) [bib]

• Mixed-Cation Perovskite La0.6Ca0.4Fe0.7Ni0.3O2.9 as a Stable and Efficient Catalyst for the Oxygen Evolution Reaction,

  Porokhin, Sergei V, Nikitina, Victoria A, Aksyonov, Dmitry A, Filimonov, Dmitry S, Pazhetnov, Egor M, Mikheev, Ivan V, and Abakumov, Artem M

  ACS Catalysis, 11, 8338-8348, 2021. (view online) [bib]

• Revisited Ti2Nb2O9 as an Anode Material for Advanced Li-Ion Batteries,

  Drozhzhin, Oleg A, Grigoryev, Vladislav V, Alekseeva, Anastasia M, Samigullin, Ruslan R, Aksyonov, Dmitry A, Boytsova, Olga V, Chernyshov, Dmitry, Shapovalov, Victor V, Guda, Alexander A, Soldatov, Alexander V, Stevenson, Keith J, Abakumov, Artem M, and Antipov, Evgeny V

  ACS Applied Materials & Interfaces, 13, 56366-56374, 2021. (view online) [bib]

• Grain Boundaries as a Diffusion-Limiting Factor in Lithium-Rich NMC Cathodes for High-Energy Lithium-Ion Batteries,

  Abakumov, Artem M, Li, Chen, Boev, Anton, Aksyonov, Dmitry A, Savina, Aleksandra A, Abakumova, Tatiana A, Tendeloo, Gustaaf Van, and Bals, Sara

  ACS Applied Energy Materials, 4, 6777-6786, 2021. (view online) [bib]

• Charge transfer through interfaces in metal-ion intercalation systems,

  Aksyonov, Dmitry A, and Nikitina, Victoria A

  2021. (view online) [bib]

• Α-TiPO4 AS A NEGATIVE ELECTRODE MATERIAL FOR Li-ION BATTERIES,

  Luchinin, ND, Aksyonov, DA, Morozov, AV, Ryazantsev, SV, Nikitina, VA, Abakumov, AM, Antipov, EV, and Fedotov, SS

  276-276, 2021. (view online) [bib]

2020

• Reversible electrochemical potassium deintercalation from> 4 V positive electrode material K6 (VO) 2 (V2O3) 2 (PO4) 4 (P2O7),

  Tereshchenko, Ivan V, Aksyonov, Dmitry A, Zhugayevych, Andriy, Antipov, Evgeny V, and Abakumov, Artem M

  Solid State Ionics, 357, 115468, 2020. (view online) [bib]

• Titanium-based potassium-ion battery positive electrode with extraordinarily high redox potential,

  Fedotov, Stanislav S, Luchinin, Nikita D, Aksyonov, Dmitry A, Morozov, Anatoly V, Ryazantsev, Sergey V, Gaboardi, Mattia, Plaisier, Jasper R, Stevenson, Keith J, Abakumov, Artem M, and Antipov, Evgeny V

  Nature communications, 11, 1484, 2020. (view online) [bib]

• Angular dependent interatomic potential for Ti–V system for molecular dynamics simulations,

  Kartamyshev, Andrey I, Lipnitskii, Alexey G, Boev, Anton O, Nelasov, Ivan V, Maksimenko, Vyacheslav N, Aksyonov, Dmitriy A, and Nguyen, Truong Khang

  Modelling and Simulation in Materials Science and Engineering, 28, 055010, 2020. (view online) [bib]

• Monoclinic α-Na2FePO4F with Strong Antisite Disorder and Enhanced Na+ Diffusion,

  Kirsanova, Maria A, Akmaev, Alexey S, Aksyonov, Dmitry A, Ryazantsev, Sergey V, Nikitina, Victoria A, Filimonov, Dmitry S, Avdeev, Maxim, and Abakumov, Artem M

  Inorganic Chemistry, 59, 16225-16237, 2020. (view online) [bib]

• Evolutionary search for new compounds in the Ti–Si system,

  Poletaev, DO, Aksyonov, DA, and Lipnitskii, AG

  Calphad, 71, 102201, 2020. (view online) [bib]

2019

• Exploring the Origin of the Superior Electrochemical Performance of Hydrothermally Prepared Li-Rich Lithium Iron Phosphate Li1+δFe1−δPO4,

  Drozhzhin, Oleg A, Sobolev, Alexey V, Sumanov, Vasiliy D, Glazkova, Iana S, Aksyonov, Dmitry A, Grebenshchikova, Anastasia D, Tyablikov, Oleg A, Alekseeva, Anastasia M, Mikheev, Ivan V, Dovgaliuk, Iurii, Chernyshov, Dmitry, Stevenson, Keith J, Presniakov, Igor A, Abakumov, Artem M, and Antipov, Evgeny V

  The Journal of Physical Chemistry C, 124, 126-134, 2019. (view online) [bib]

• Bifunctional OER/ORR catalytic activity in the tetrahedral YBaCo 4 O 7.3 oxide,

  Kirsanova, Maria A, Okatenko, Valery D, Aksyonov, Dmitry A, Forslund, Robin P, Mefford, J Tyler, Stevenson, Keith J, and Abakumov, Artem M

  Journal of Materials Chemistry A, 7, 330-341, 2019. (view online) [bib]

• Tuning the Crystal Structure of A2CoPO4F (A = Li, Na) Fluoride‐Phosphates: A New Layered Polymorph of LiNaCoPO4F,

  Fedotov, Stanislav S, Aksyonov, Dmitry A, Samarin, Aleksandr Sh, Karakulina, Olesia M, Hadermann, Joke, Stevenson, Keith J, Khasanova, Nellie R, Abakumov, Artem M, and Antipov, Evgeny V

  European Journal of Inorganic Chemistry, 2019, 4365-4372, 2019. (view online) [bib]

• β-NaVP2O7 as a Superior Electrode Material for Na-Ion Batteries,

  Drozhzhin, Oleg A, Tertov, Ilya V, Alekseeva, Anastasia M, Aksyonov, Dmitry A, Stevenson, Keith J, Abakumov, Artem M, and Antipov, Evgeny V

  Chemistry of Materials, 31, 7463-7469, 2019. (view online) [bib]

• “Hydrotriphylites” Li1–xFe1+x(PO4)1–y(OH)4y as Cathode Materials for Li-ion Batteries,

  Sumanov, Vasily D, Aksyonov, Dmitry A, Drozhzhin, Oleg A, Presniakov, Igor, Sobolev, Alexey V, Glazkova, Iana, Tsirlin, Alexander A, Rupasov, Dmitry, Senyshyn, Anatoliy, Kolesnik, Irina V, Stevenson, Keith J, Antipov, Evgeny, and Abakumov, Artem M

  Chemistry of Materials, 31, 5035-5046, 2019. (view online) [bib]

2018

• The role of semilabile oxygen atoms for intercalation chemistry of the metal-ion battery polyanion cathodes,

  Tereshchenko, Ivan V, Aksyonov, Dmitry A, Drozhzhin, Oleg A, Presniakov, Igor A, Sobolev, Alexey V, Zhugayevych, Andriy, Striukov, Daniil, Stevenson, Keith J, Antipov, Evgeny, and Abakumov, Artem M

  Journal of the American Chemical Society, 140, 3994-4003, 2018. (view online) [bib]

• Reversible facile Rb+ and K+ ions de/insertion in a KTiOPO 4-type RbVPO 4 F cathode material,

  Fedotov, Stanislav S, Samarin, Aleksandr Sh, Nikitina, Victoria A, Aksyonov, Dmitry A, Sokolov, Sergey A, Zhugayevych, Andriy, Stevenson, Keith J, Khasanova, Nellie R, Abakumov, Artem M, and Antipov, Evgeny V

  Journal of Materials Chemistry A, 6, 14420-14430, 2018. (view online) [bib]

• Crystal Structures and Low-Dimensional Ferromagnetism of Sodium Nickel Phosphates Na5Ni2(PO4)3·H2O and Na6Ni2(PO4)3OH,

  Kirsanova, Maria A, Aksyonov, Dmitry A, Maximova, Olga V, Shvanskaya, Larisa V, Vasiliev, Alexander N, Tsirlin, Alexander A, and Abakumov, Artem M

  Inorganic Chemistry, 58, 610-621, 2018. (view online) [bib]

• Understanding migration barriers for monovalent ion insertion in transition metal oxide and phosphate based cathode materials: A DFT study,

  Aksyonov, Dmitry A, Fedotov, Stanislav S, Stevenson, Keith J, and Zhugayevych, Andriy

  Computational Materials Science, 154, 449-458, 2018. (view online) [bib]

2017

• Interaction of Ti and Cr atoms with point defects in bcc vanadium: a DFT study,

  Boev, AO, Aksyonov, DA, Kartamyshev, AI, Maksimenko, VN, Nelasov, IV, and Lipnitskii, AG

  Journal of Nuclear Materials, 492, 14-21, 2017. (view online) [bib]

• Solubility and grain boundary segregation of iron in hcp titanium: A computational study,

  Aksyonov, DA, and Lipnitskii, AG

  Computational Materials Science, 137, 266-272, 2017. (view online) [bib]

2016

• The impact of carbon and oxygen in alpha-titanium: ab initio study of solution enthalpies and grain boundary segregation,

  Aksyonov, Dmitry A, Hickel, Tilmann, Neugebauer, Jörg, and Lipnitskii, AG

  Journal of Physics: Condensed Matter, 28, 385001, 2016. (view online) [bib]

• Hydrogen solubility in hcp titanium with the account of vacancy complexes and hydrides: A DFT study,

  Poletaev, DO, Aksyonov, DA, Vo, Dat Duy, and Lipnitskii, AG

  Computational Materials Science, 114, 199-208, 2016. (view online) [bib]