Zobrazeno 1 - 10
of 1 897
pro vyhledávání: '"Popov, A M"'
Autor:
Minkin, Alexander S., Lebedeva, Irina V., Popov, Andrey M., Vyrko, Sergey A., Poklonski, Nikolai A., Lozovik, Yurii E.
Publikováno v:
Phys. Rev. B 108 (2023) 085411(1-9)
The potential energy surface (PES) of interlayer interaction of infinite twisted bilayer graphene is calculated for a set of commensurate moir\'e patterns using the registry-dependent Kolmogorov-Crespi empirical potential. The calculated PESs have th
Externí odkaz:
http://arxiv.org/abs/2308.06302
Autor:
Nunes, N. V., Bartel, N., Belonenko, A., Manucharyan, G. D., Popov, S. M., Rudenko, V. N., Gurvits, L. I., Cimò, G., Calvés, G. Molera, Zakhvatkin, M. V., Bietenholz, M. F.
The Einstein Equivalence Principle (EEP) is a cornerstone of general relativity and predicts the existence of gravitational redshift. We report on new results of measuring this shift with RadioAstron (RA), a space VLBI spacecraft launched into an evo
Externí odkaz:
http://arxiv.org/abs/2307.13435
Publikováno v:
Computational and Theoretical Chemistry 1214, 113755 (2022)
We investigate how parameters of the model of semi-infinite graphene based on a graphene nanoribbon under periodic boundary conditions affect the accuracy of ab initio calculations of reactions at graphene edges by the example of the first stage of r
Externí odkaz:
http://arxiv.org/abs/2211.04181
Publikováno v:
J. Phys. Chem. Lett. 13, 10326 - 10330 (2022)
Ab initio calculations are performed to study consecutive reconstruction of a zigzag graphene edge. According to the obtained energy profile along the reaction pathway, the first reconstruction step, formation of the first pentagon-heptagon pair, is
Externí odkaz:
http://arxiv.org/abs/2211.02514
Publikováno v:
Phys. Rev. B 104, 075444 (2021)
The potential energy surface (PES) of interlayer interaction of twisted bilayer graphene with vacancies in one of the layers is investigated via density functional theory (DFT) calculations with van der Waals corrections. These calculations give a no
Externí odkaz:
http://arxiv.org/abs/2108.11109
Publikováno v:
Fullerenes, Nanotubes and Carbon Nanostructures, 29, 755-766 (2021)
Since fullerene formation occurs under conditions where direct observation of atomic-scale reactions is not possible, modeling is the only way to reveal atomistic mechanisms which can lead to selection of abundant fullerene isomers (like C60-Ih). In
Externí odkaz:
http://arxiv.org/abs/2108.07598
Autor:
Vyrko, Sergey A., Polynskaya, Yulia G., Matsokin, Nikita A., Popov, Andrey M., Knizhnik, Andrey A., Poklonski, Nikolai A., Lozovik, Yurii E.
Publikováno v:
In Chemical Physics Letters 16 January 2024 835
Publikováno v:
In Spectrochimica Acta Part B: Atomic Spectroscopy January 2024 211
Publikováno v:
J. Phys. Chem. C 125, 1523-1530 (2021)
Healing of a hole in a carbon nanotube under electron irradiation in HRTEM at room temperature is demonstrated using molecular dynamics simulations with the CompuTEM algorithm. Formation of an amorphous patch is observed in all simulation runs. The a
Externí odkaz:
http://arxiv.org/abs/2103.12395
Autor:
Sinitsa, Alexander S., Lebedeva, Irina V., Polynskaya, Yulia G., de Oteyza, Dimas G., Ratkevich, Sergey V., Knizhnik, Andrey A., Popov, Andrey M., Poklonski, Nikolai A., Lozovik, Yurii E.
Publikováno v:
Phys. Chem. Chem. Phys. 23, 425-441 (2021)
Molecular dynamics simulations show that a graphene nanoribbon with alternating regions which are one and three hexagons wide can transform into a hybrid 1D nanoobject with alternating double chains and polycyclic regions under electron irradiation i
Externí odkaz:
http://arxiv.org/abs/2101.05123