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Evgenia A. Kovaleva
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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
612017
Molecular hydrogen sorption capacity of D-shwarzites
PO Krasnov, GS Shkaberina, AA Kuzubov, EA Kovaleva
Applied Surface Science 416, 766-771, 2017
202017
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), 084309, 2014
192014
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
182019
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
172018
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
142019
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
132016
“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
82021
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
72016
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
62015
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
52021
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
52017
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
42020
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
42017
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
32021
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
32017
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
22020
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
22017
Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry
AA Kuzubov, PV Avramov, KM Nikolaeva, NS Mikhaleva, EA Kovaleva, ...
Computational Materials Science 112, 269-275, 2016
22016
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
12022
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