| Oxygenation of Janus group III monochalcogenides: First-principles insights into (, Se, Te) monolayers TV Vu, VTT Vi, HV Phuc, AI Kartamyshev, NN Hieu Physical Review B 104 (11), 115410, 2021 | 33 | 2021 |
| Structural, electronic, and transport properties of quintuple atomic Janus monolayers ( O, S, Se, Te): First-principles predictions NN Hieu, HV Phuc, AI Kartamyshev, TV Vu Physical Review B 105 (7), 075402, 2022 | 31 | 2022 |
| 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 | 27 | 2014 |
| 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 | 23 | 2017 |
| Structural, elastic, and electronic properties of chemically functionalized boron phosphide monolayer TV Vu, AI Kartamyshev, NV Hieu, TDH Dang, SN Nguyen, NA Poklonski, ... RSC Advances 11 (15), 8552-8558, 2021 | 15 | 2021 |
| Molecular Dynamics Simulations of the Excess Vacancy Evolution in V and V-4Ti A Boev, I Nelasov, V Maksimenko, A Lipnitskii, V Saveliev, A Kartamyshev Defect and Diffusion Forum 375, 153-166, 2017 | 13 | 2017 |
| Development of an interatomic potential for titanium with high predictive accuracy of thermal properties up to melting point AI Kartamyshev, AG Lipnitskii, VN Saveliev, VN Maksimenko, IV Nelasov, ... Computational Materials Science 160, 30-41, 2019 | 12 | 2019 |
| Rashba-type spin splitting and transport properties of novel Janus XWGeN 2 (X= O, S, Se, Te) monolayers TV Vu, HV Phuc, CV Nguyen, VTT Vi, AI Kartamyshev, NN Hieu Physical Chemistry Chemical Physics 24 (27), 16512-16521, 2022 | 11 | 2022 |
| Enhanced out-of-plane piezoelectricity and carrier mobility in Janus γ- ( /Y= S, Se, Te) monolayers: A first-principles prediction TV Vu, HV Phuc, AI Kartamyshev, NN Hieu Applied Physics Letters 122 (6), 061601, 2023 | 10 | 2023 |
| Outstanding elastic, electronic, transport and optical properties of a novel layered material C 4 F 2: first-principles study TV Vu, HV Phuc, S Ahmad, VQ Nha, C Van Lanh, DP Rai, AI Kartamyshev, ... RSC Advances 11 (38), 23280-23287, 2021 | 10 | 2021 |
| First-principles calculations to investigate electronic properties of ZnO/PtSSe van der Waals heterostructure: Effects of vertical strain and electric field AI Kartamyshev, TV Vu, S Ahmad, S Al-Qaisi, TDH Dang, NLT Dang, ... Chemical Physics 551, 111333, 2021 | 9 | 2021 |
| A theoretical study on elastic, electronic, transport, optical and thermoelectric properties of Janus SnSO monolayer TV Vu, HV Phuc, CV Nguyen, AI Kartamyshev, NN Hieu Journal of Physics D: Applied Physics 54 (47), 475306, 2021 | 9 | 2021 |
| First principles analysis of the half-metallic ferromagnetism, elastic and thermodynamic properties of equiatomic quaternary Heusler compound CoCrRhSi DM Hoat, DQ Hoang, NTT Binh, M Naseri, JF Rivas-Silva, AI Kartamyshev, ... Materials Chemistry and Physics 257, 123695, 2021 | 9 | 2021 |
| P-substitution effects on the electronic structure and thermal properties of the half-metallic half-Heusler NaCrBi compound DM Hoat, M Naseri, R Ponce-Pérez, JF Rivas-Silva, AI Kartamyshev, ... Chemical Physics 537, 110848, 2020 | 8 | 2020 |
| Novel Janus GaInX 3 (X= S, Se, Te) single-layers: first-principles prediction on structural, electronic, and transport properties TV Vu, NN Hieu, AA Lavrentyev, OY Khyzhun, CV Lanh, AI Kartamyshev, ... RSC advances 12 (13), 7973-7979, 2022 | 7 | 2022 |
| Angular dependent interatomic potential for Ti–V system for molecular dynamics simulations AI Kartamyshev, AG Lipnitskii, AO Boev, IV Nelasov, VN Maksimenko, ... Modelling and Simulation in Materials Science and Engineering 28 (5), 055010, 2020 | 7 | 2020 |
| Interatomic potential for the simulation of diffusion processes in tungsten AG Lipnitskii, VN Maksimenko, IV Nelasov, AI Kartamyshev AIP Conference Proceedings 2167 (1), 020197, 2019 | 7 | 2019 |
| The interaction between light impurities and vacancies in titanium and aluminum metals: A DFT study AI Kartamyshev, DD Vo, AG Lipnitskii St. Petersburg Polytechnical University Journal: Physics and Mathematics 2 …, 2016 | 7* | 2016 |
| Prediction of the diffusion characteristics of the V-Cr system by molecular dynamics based on N-body interatomic potentials VN Maksimenko, AG Lipnitskii, VN Saveliev, IV Nelasov, AI Kartamyshev Computational Materials Science 198, 110648, 2021 | 6 | 2021 |
| Molecular-dynamics simulation of the α-Ti plastic deformation under conditions of high-energy effects IV Nelasov, AG Lipnitskii, AI Kartamyshev, VN Maksimenko, YR Kolobov AIP Conference Proceedings 2053 (1), 030047, 2018 | 6 | 2018 |
Nelasov I.V. (Неласов И.В. ) (https://or...Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry RASVerified email at icp.ac.ru
