DFT insight into Cd2+, Hg2+, Pb2+, Sn2+, As3+, Sb3+, and Cr3+ heavy metal ions adsorption onto surface of bowl-like B30 nanosheet S Kaviani, DA Tayurskii, OV Nedopekin, I Piyanzina
Journal of Molecular Liquids 365, 120131, 2022
21 2022 Adsorption behavior and sensing properties of toxic gas molecules onto PtnBe (n= 5, 7, 10) clusters: A DFT benchmark study S Kaviani, II Piyanzina, OV Nedopekin, DA Tayurskii
Materials Today Communications 33, 104851, 2022
11 2022 Vibrational and magnetic properties of crystalline CuTe2 O5 YV Lysogorskiy, RM Eremina, TP Gavrilova, OV Nedopekin, DA Tayurskii
JETP letters 100, 652-656, 2015
11 2015 A DFT-D3 investigation on Li, Na, and K decorated C6O6Li6 cluster as a new promising hydrogen storage system S Kaviani, I Piyanzina, OV Nedopekin, DA Tayurskii
International Journal of Hydrogen Energy 48 (77), 30069-30084, 2023
10 2023 Origin of electron disproportionation in metallic sodium cobaltates YV Lysogorskiy, SA Krivenko, IR Mukhamedshin, OV Nedopekin, ...
Physical Review B 94 (20), 205138, 2016
10 2016 Ferromagnetically coupled copper (II) clusters incorporated in functionalized Boltorn H30 hyperbranched polymer architecture: ESR, magnetic susceptibility measurements, and … SV Yurtaeva, IF Gilmutdinov, AA Rodionov, RB Zaripov, MP Kutyreva, ...
ACS omega 4 (15), 16450-16461, 2019
9 2019 Analysis of Electronic and Structural Properties of Surfaces and Interfaces Based on LaAlO and SrTiO II Piyanzina, YV Lysogorskiy, II Varlamova, AG Kiiamov, T Kopp, V Eyert, ...
Journal of Low Temperature Physics 185 (5), 597-602, 2016
7 2016 Validation of MRI-Based Fiber-Tracking Results KA Il’yasov, LV Konopleva, OV Nedopekin
Applied Magnetic Resonance 48, 241-254, 2017
6 2017 Adsorption of Helium atoms on two-dimensional substrates R Burganova, Y Lysogorskiy, O Nedopekin, D Tayurskii
Journal of Low Temperature Physics 185, 392-398, 2016
6 2016 Ab initio studying of topological insulator Bi2Se3 under the stress YV Lysogorskiy, AG Kijamov, OV Nedopekin, DA Tayurskii
Journal of Physics: Conference Series 394 (1), 012022, 2012
5 2012 DFT-based modeling of polypyrole/B12N12 nanocomposite for the photocatalytic applications S Kaviani, DA Tayurskii, OV Nedopekin, I Piyanzina
Journal of Physics and Chemistry of Solids 170, 110949, 2022
4 2022 Ab initio study of electronic properties of graphene/MoS2 heterostructure under biaxial deformations A Valishina, R Burganova, A Petrova, O Nedopekin, D Tayurskii
AIP Conference Proceedings 2041 (1), 2018
4 2018 Ab-initio investigation of spin states of sodium cobaltate Na2/3CoO2 YV Lysogorskiy, OV Nedopekin, SA Krivenko, B Minisini, DA Tayurskii
Journal of Physics: Conference Series 394 (1), 012019, 2012
4 2012 Verification of diffusion MRI fiber tracking results In vivo LV Konopleva, OV Nedopekin, KA Il’yasov
Applied Magnetic Resonance 50, 121-136, 2019
3 2019 Pressure-induced ferroelastic phase transition in LuLiF4 compound AV Petrova, OV Nedopekin, B Minisini, DA Tayurskii
Phase Transitions 88 (5), 534-539, 2015
3 2015 First-principles outlook of two-dimensional B3O3 monolayer as an anode material for non-lithium ion (K+, Ca2+, and Al3+) batteries S Kaviani, I Piyanzina, OV Nedopekin, DA Tayurskii
Computational and Theoretical Chemistry 1228, 114246, 2023
2 2023 Single and binary heavy metal adsorption using alginic acid structure: Experimental and density functional theory investigations M Khajavian, S Kaviani, I Piyanzina, DA Tayurskii, OV Nedopekin, ...
Journal of Water Process Engineering 54, 103996, 2023
2 2023 Chitosan-based adsorptive membrane modified by carboxymethyl cellulose for heavy metal ion adsorption: Experimental and density functional theory investigations M Khajavian, S Kaviani, I Piyanzina, DA Tayurskii, OV Nedopekin
International Journal of Biological Macromolecules 257, 128706, 2024
1 2024 Zn-decorated S, P, B co-doped C2N nanosheet for ibuprofen adsorption: Experimental and density functional theory calculation M Khajavian, S Kaviani, I Piyanzina, DA Tayurskii, OV Nedopekin
Colloids and Surfaces A: Physicochemical and Engineering Aspects 680, 132702, 2024
1 2024 Molecular Dynamics Modeling for the Determination of Elastic Moduli of Polymer–Single-Walled Carbon Nanotube Composites A Shamsieva, A Evseev, I Piyanzina, O Nedopekin, D Tayurskii
International Journal of Molecular Sciences 24 (14), 11807, 2023
1 2023