Two-dimensional hexagonal CrN with promising magnetic and optical properties: A theoretical prediction AV Kuklin, AA Kuzubov, EA Kovaleva, NS Mikhaleva, FN Tomilin, H Lee, ... Nanoscale 9 (2), 621-630, 2017 | 81 | 2017 |
The role of strong electron correlations in determination of band structure and charge distribution of transition metal dihalide monolayers EA Kovaleva, I Melchakova, NS Mikhaleva, FN Tomilin, SG Ovchinnikov, ... Journal of Physics and Chemistry of Solids 134, 324-332, 2019 | 30 | 2019 |
Stability and electronic properties of PtPd nanoparticles via MD and DFT calculations IV Chepkasov, MA Visotin, EA Kovaleva, AM Manakhov, VS Baidyshev, ... The Journal of Physical Chemistry C 122 (31), 18070-18076, 2018 | 25 | 2018 |
Unique Nanomechanical Properties of Diamond–Lonsdaleite Biphases: Combined Experimental and Theoretical Consideration of Popigai Impact Diamonds W Baek, SA Gromilov, AV Kuklin, EA Kovaleva, AS Fedorov, AS Sukhikh, ... Nano Letters 19 (3), 1570-1576, 2019 | 23 | 2019 |
Molecular hydrogen sorption capacity of D-shwarzites PO Krasnov, GS Shkaberina, AA Kuzubov, EA Kovaleva Applied Surface Science 416, 766-771, 2017 | 21 | 2017 |
Contact-induced spin polarization in BNNT (CNT)/TM (TM= Co, Ni) nanocomposites AA Kuzubov, EA Kovaleva, P Avramov, AV Kuklin, NS Mikhaleva, ... Journal of Applied Physics 116 (8), 2014 | 21 | 2014 |
“Vitruvian” precursor for gas phase deposition: structural insights into iridium β-diketonate volatilities ES Vikulova, KI Karakovskaya, IY Ilyin, EA Kovaleva, DA Piryazev, ... Physical Chemistry Chemical Physics 23 (16), 9889-9899, 2021 | 18 | 2021 |
Characterization of LSMO/C60 spinterface by first-principle calculations EA Kovaleva, AA Kuzubov, PV Avramov, AV Kuklin, NS Mikhaleva, ... Organic Electronics 37, 55-60, 2016 | 14 | 2016 |
Why the Magnetite–Gold Core–Shell Nanoparticles Are Not Quite Good and How to Improve Them AE Sokolov, OS Ivanova, AS Fedorov, EA Kovaleva, MA Vysotin, CR Lin, ... Physics of the Solid State 63 (10), 1536-1540, 2021 | 7 | 2021 |
Buckminsterfullerene's movability on the Fe (001) surface AA Kuzubov, EA Kovaleva, PV Avramov, AS Kholtobina, NS Mikhaleva, ... Journal of Magnetism and Magnetic Materials 410, 41-46, 2016 | 7 | 2016 |
Potential energy surfaces of adsorption and migration of transition metal atoms on nanoporus materials: The case of nanoporus bigraphene and G-C3N4 I Melchakova, KM Nikolaeva, EA Kovaleva, FN Tomilin, SG Ovchinnikov, ... Applied Surface Science 540, 148223, 2021 | 6 | 2021 |
On the possibility of contact-induced spin polarization in interfaces of armchair nanotubes with transition metal substrates AA Kuzubov, EA Kovaleva, FN Tomilin, NS Mikhaleva, AV Kuklin Journal of Magnetism and Magnetic Materials 396, 102-105, 2015 | 6 | 2015 |
Insights into fullerene polymerization under the high pressure: The role of endohedral Sc dimer SV Erohin, VD Churkin, NG Vnukova, MA Visotin, EA Kovaleva, ... Carbon 189, 37-45, 2022 | 5 | 2022 |
Synthesis, structural, vibrational and DFT investigation of new binuclear molecular Pd–Cu and Cu–Cu complexes formed by Schiff base and hexafluoroacetylacetonate building blocks ES Vikulova, NS Nikolaeva, PO Krasnov, AA Sukhikh, AI Smolentsev, ... Journal of Molecular Structure 1216, 128341, 2020 | 5 | 2020 |
Mechanism of dicarbonyl (2, 4-pentanedionato) iridium (I) decomposition on iron surface and in gas phase: Complex experimental and theoretical study EA Kovaleva, AA Kuzubov, ES Vikulova, TV Basova, NB Morozova Journal of Molecular Structure 1146, 677-683, 2017 | 5 | 2017 |
DFT investigation of electronic structures and magnetic properties of halides family MeHal3 (Me= Ti, Mo, Zr, Nb, Ru, Hal= Cl, Br, I) one dimensional structures AA Kuzubov, EA Kovaleva, MI Popova, AS Kholtobina, NS Mikhaleva, ... Journal of Magnetism and Magnetic Materials 440, 93-96, 2017 | 5 | 2017 |
External electric field effect on electronic properties and charge transfer in CoI2/NiI2 spinterface I Melchakova, EA Kovaleva, NS Mikhaleva, FN Tomilin, SG Ovchinnikov, ... International Journal of Quantum Chemistry 120 (3), e26092, 2020 | 4 | 2020 |
The direct exchange mechanism of induced spin polarization of low-dimensional π-conjugated carbon-and h-BN fragments at LSMO (001) MnO-terminated interfaces AV Kuklin, AA Kuzubov, EA Kovaleva, H Lee, PB Sorokin, S Sakai, ... Journal of Magnetism and Magnetic Materials 440, 23-29, 2017 | 4 | 2017 |
Interface features and electronic structure of Bi2SiO5/β-Bi2O3 hetero-junction EA Kovaleva, OV Vodyankina, VA Svetlichny XV International Conference on Pulsed Lasers and Laser Applications 12086, 89-93, 2021 | 3 | 2021 |
Theoretical Investigation of the Interfaces and Mechanisms of Induced Spin Polarization of 1D Narrow Zigzag Graphene- and h-BN Nanoribbons on a SrO … P Avramov, AA Kuzubov, AV Kuklin, H Lee, EA Kovaleva, S Sakai, ... The Journal of Physical Chemistry A 121 (3), 680-689, 2017 | 3 | 2017 |