Publications
1. A.N. Chibisov. Oxygen adsorption on small Ti clusters: A first-principles study // Computational Materials Science. 2014. V. 82. P. 131–133.
2. M.A. Chibisova, A.N. Chibisov. Adsorption configuration of CH4 on Fe/SiO2 surface: first-principles calculations. // Solid State Phenomena. Vol. 213. 2014. pp. 47-50.
3. Чибисов А.Н., Чибисова М.А. Ab initio расчеты влияния примесных ионов железа на взаимодействие CH4 и NH3 с нанопористыми силикатами. // Российские нанотехнологии. 2014. Том 9. № 3-4. С. 75-77.
4. A.N. Chibisov. Phase transformation in titanium nanoparticles from first principles // Solid State Phenomena. Vol. 213. 2014. pp. 42-46.
5. Чибисов А.Н. Ab initio расчеты упругих свойств нанокластеров титана. // Российские нанотехнологии. 2014. Том 9. № 3-4. С. 78-81.
6. Чибисов А.Н. Влияние добавок Zr на механические свойства BaTiO3. // Физика и химия стекла. 2014. Т. 40. № 2. С. 351-356.
7. A.N. Chibisov. Understanding the effects of point defects upon the electronic properties of titania nanoparticles: An ab initio study. // Spectroscopy Letters. 2015. Vol. 48. P. 691–694.
8. A.N. Chibisov, M.A. Chibisova, First-principle calculations of the structural and elastic properties of titanium nanowires // Materials Letters. 2015. Vol. 141. P. 333–335.
9. Chibisov, A.N. Effect of stoichiometry on the atomic and electronic structure of BaTiO3 nanoparticles: a first-principles study / A.N. Chibisov // Molecular Physics. 2015. Vol. 113. No. 21. P. 3291–3295.
10. Чибисов А.Н. Компьютерное моделирование образования точечных дефектов в керамических материалах MgSiO3. // Журнал структурной химии. 2015. Т. 56. № 3. С. 484-486.
11. Chibisov, A.N. Computer simulation of the equilibrium morphology of zirconia nanocrystals // Solid State Phenomena. 2016. Vol. 245. P. 3-7. (Scopus)
12. Chibisova, M.A., Chibisov, A.N. The effect of nitrogen doping on the elastic properties of silicene // Solid State Phenomena. 2016. Vol. 245. P. 14-18. (Scopus)
13. Chibisova, M.A., Chibisov, A.N., Karpovich, N.F. Effect of bond population on the elasticity of tungsten nanowires: Ab initio calculation. // Computational Materials Science. 2016. Vol. 114. P. 99-101. (Web of Science) (scimagojr= SJR=Q1)
14. Chibisov A.N., Chibisova M.A. Effect of ammonia and methane adsorption on the electronic structure of undoped and Fe-doped 2D silica: a first-principles calculation. // Materials Research Express. 2018. Vol. 5. P. 056304 (WoS Q3, IF 2.3)
15. Chibisov A.N., Chibisova M.A. Modelling of quantum qubit behaviour for future quantum computers. // Supercomputing Frontiers and Innovations. Vol. 5, No. 3, 2018, P. 51-54. (Scopus Q3)
16. Chibisova M.A., Chibisov A.N. Effect of B-Si bond charge density on the structural and elastic properties of silicene. // Materials Research Express. 2019. Vol. 6. P. 045017 (WoS Q3, SCOPUS Q2, IF 2.3) DOI: 10.1088/2053-1591/aafb28
17. Chibisov A.N., Chibisova M.A. Ab Initio Prediction of Non-Collinear Magnetic States of the Quantum Phosphorus Qubit in a Silicon Lattice. // Journal of Physical Chemistry Letters. 2020. Vol. 11(11). P. 4427–4429 (WoS Q1, SCOPUS Q1, IF 5.7) DOI: https://doi.org/10.1021/acs.jpclett.0c01046
18. Pugachevskii M.A., Chibisov A.N., Kuzmenko A.P., Fedorov A.S. Theoretical and experimental studies of structural defects in CeO2 nanoparticles. // Solid State Phenomena. 2020. Vol. 312. P. 68-73. (SCOPUS Q3, IF 0.40) DOI: https://doi.org/10.4028/www.scientific.net/SSP.312.68
19. Chibisov A.N., Chibisova M.A. Ab initio calculation of the equilibrium quantum state for hole qubit and electrostatic characteristics of the B:Si system. // Journal of Computational Electronics. 2021. Vol. 20. 1959–1963 (WoS Q3, SCOPUS Q3, IF 2.1) DOI: https://doi.org/10.1007/s10825-021-01755-y
20. Pugachevskii M.A., Chibisov A.N., Mamontov V.A., Kuzmenko A.P. Antioxidant properties of stabilized CeO2 nanoparticles. // Physica Status Solidi A: Applications and Materials Science. 2021. Vol. 218(20). 2100355 (1-5) (WoS Q3, SCOPUS Q2, IF 2.0) DOI: https://doi.org/10.1002/pssa.202100355
21. Chibisova M.A., Chibisov A.N., Srivastava A. Behavior of Two Hole Qubits of Boron Atoms in Silicene. / CEUR Workshop Proceedings. 2021. Vol. 2930. 79-83 (SCOPUS, IF 0.55) DOI:
22. Gnidenko A.A., Chibisov A.N., Chibisova M.A., Prokhorenko A.V. Quantum mechanical modelling of phosphorus qubits in silicene under constrained magnetization. // RSC Advances. 2021. 11. 33890-33894 (WoS Q2, SCOPUS Q2, IF 3.9) DOI: https://doi.org/10.1039/D1RA05422H
23. Kartsev A.I., Malkovsky S.I., Chibisov A.N. Analysis of Ionicity-Magnetism Competition in 2D-MX3 Halides towards a Low-Dimensional Materials Study Based on GPU-Enabled Computational Systems. // Nanomaterials 2021. 11(11). 2967 (WoS Q1, SCOPUS Q1, IF 5.3) DOI: https://doi.org/10.3390/nano11112967
24. Chibisova M.A., Chibisov A.N. Effect of B-Si bond charge density on the structural and elastic properties of silicene. // Materials Today: Proceedings. 2021. Vol. 47. 6499-6503. SCOPUS Q2 DOI:
25. Chibisov A.N., Pugachevskii M.A., Kuzmenko A.P., Myo Min Than, Kartsev A.I. Effect of morphology and size on the thermodynamic stability of cerium oxide nanoparticles: Experiment and molecular dynamics calculation. // Nanotechnology Reviews. 2022. Vol. 11(1). P. 620-624. (WoS Q1, SCOPUS Q1, IF 7.4) DOI: https://doi.org/10.1515/ntrev-2022-0038
26. Chibisov A.N., Aleshin M.S., Chibisova M.A. DFT Analysis of Hole Qubits Spin State in Germanium thin layer. // Nanomaterials. 2022. Vol. 12(13). P. 2244 (WoS Q1, SCOPUS Q1, IF 5.3) DOI: https://doi.org/10.3390/nano12132244
27. Goncharov A.V., Chibisov A.N. Effect of External Pressure and Quantum State on the Local Magnetization of Germanium Layers: Ab Initio Calculation. // Advanced Theory and Simulations. 2023. Vol. 12(13). P. 2200816 (WoS Q2, SCOPUS Q1, IF 3.3) DOI: https://doi.org/10.1002/adts.202200816
28. Chibisov A.N., Gnidenko A.A., Chibisova M.A., Prokhorenko A.V., Yu Yang-Xin. Quantum-mechanical study of the optimal phosphorus atoms arrangement on silicene. // Chemistry of Flat Materials. 2023. Vol. 41. P. 100533 (WoS Q2, SCOPUS Q1, IF 6.2) DOI: https://doi.org/10.1016/j.flatc.2023.100533
29. Zhi-Hai Wu, Yang-Xin Yu, A.N. Chibisov. Density functional theory investigation on fast storage of sodium and potassium in Ni2TeO6 as a novel promising cathode material. // Materials Today Energy. 2023. Vol. 37. P. 101414. https://doi.org/10.1016/j.mtener.2023.101414 (WoS Q1, SCOPUS Q1, IF 9.3) DOI: https://doi.org/10.1016/j.mtener.2023.101414
30. Chibisov A.N., Chibisova M.A., ProkhorenkoA.V., Obrazcov K.V., Fedorov A.S., Yu Yang-Xin. Possibilities of Controlling the Quantum States of Hole Qubits in an Ultrathin Germanium Layer Using a Magnetic Substrate: Results from ab Initio Calculations. // Nanomaterials. 2023. 13(23). P. 3070 (WoS Q1, SCOPUS Q1, IF 5.3) DOI: https://doi.org/10.3390/nano13233070
31. Rongwei Shi, Yang-Xin Yu, A.N. Chibisov. Electrochemical reduction of cyanide on conjugated copper-organic framework Cu3(HHTP)2 monolayer: A dispersion-corrected DFT investigation. // International Journal of Hydrogen Energy. 2024. In Press (WoS Q1, IF 8.1)
32. Prokhorenko A.V., Chibisov A.N., Gnidenko A.A., Chibisova M.A., Obrazcov K.V., Vasenko A.S., Srivastava A. Ab Initio Study of the Influence of Spin and Orbital Magnetic Moments on the Stability of Magnetic and Charge Distribution in Co:ZnO Monolayer. // J. Phys. Chem. Lett. 2024, 15, 41, 10295–10300 (WoS Q1, IF 4.8) https://doi.org/10.1021/acs.jpclett.4c02744