25 citations · 210 across the 18 of their papers we have counts for
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Robust structural superlubricity of twisted graphene bilayer and domain walls between commensurate moiré pattern domains from first-principles calculations
Irina V. Lebedeva, Andrey M. Popov, Yulia G. Polynskaya +3
Twisted graphene layers exhibit extremely low friction for relative sliding. Nevertheless, previous studies suggest that the area contribution to friction for commensurate moiré sy…
Restriction of macroscopic structural superlubricity due to structure relaxation by the example of twisted graphene bilayer
Alexander S. Minkin, Irina V. Lebedeva, Andrey M. Popov +3
The effect of structure relaxation on the potential energy surface (PES) of interlayer interaction of twisted graphene bilayer is studied for a set of commensurate moiré systems us…
Magnetic and electronic properties of 1D hybrid nanoobjects composed of alternating polycyclic hydrocarbon regions and double carbon chains
Irina V. Lebedeva, Sergey A. Vyrko, Alexander S. Sinitsa +5
It has been proposed recently that 1D hybrid nanoobjects consisting of alternating double carbon chains and polycyclic carbon regions can be obtained from graphene nanoribbons of a…
Interlayer interaction, shear vibrational mode, and tribological properties of two-dimensional bilayers with a commensurate moiré pattern
Alexander S. Minkin, Irina V. Lebedeva, Andrey M. Popov +3
The potential energy surface (PES) of interlayer interaction of infinite twisted bilayer graphene is calculated for a set of commensurate moiré patterns using the registry-dependen…
Multiscale modeling strategy to solve fullerene formation mystery
Andrey M. Popov, Irina V. Lebedeva, Sergey A. Vyrko +1
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…
Universal description of potential energy surface of interlayer interaction in two-dimensional materials by first spatial Fourier harmonics
Alexander V. Lebedev, Irina V. Lebedeva, Andrey M. Popov +3
We propose a hypothesis that the potential energy surface (PES) of interlayer interaction in diverse 2D materials can be universally described by the first spatial Fourier harmonic…
Structure and energetics of carbon, hexagonal boron nitride and carbon/hexagonal boron nitride single-layer and bilayer nanoscrolls
Andrei I. Siahlo, Nikolai A. Poklonski, Alexander V. Lebedev +5
Single-layer and bilayer carbon and hexagonal boron nitride nanoscrolls as well as nanoscrolls made of bilayer graphene/hexagonal boron nitride heterostructure are considered. Stru…
Force and magnetic field sensor based on measurement of tunneling conductance between ends of coaxial carbon nanotubes
A. M. Popov, I. V. Lebedeva, A. A. Knizhnik +5
The interaction and tunneling conductance between oppositely located ends of coaxial carbon nanotubes are studied by the example of two (11,11) nanotubes with open ends terminated…
Tunneling current between graphene layers
Nikolai A. Poklonski, Andrei I. Siahlo, Sergey A. Vyrko +2
The physical model that allows to calculate the values of the tunneling current be-tween graphene layers is proposed. The tunneling current according to the pro-posed model is prop…
AA stacking, tribological and electronic properties of double-layer graphene with krypton spacer
Andrey M. Popov, Irina V. Lebedeva, Andrey A. Knizhnik +5
Structural, energetic and tribological characteristics of double-layer graphene with commensurate and incommensurate krypton spacers of nearly monolayer coverage are studied within…
Graphene-based nanodynamometer
N. A. Poklonski, A. I. Siahlo, S. A. Vyrko +4
A new concept of an electromechanical nanodynamometer based on the relative displacement of layers of bilayer graphene is proposed. In this nanodynamometer, force acting on one of…
Structural phase transition and band gap of uniaxially deformed (6,0) carbon nanotube
N. A. Poklonski, S. V. Ratkevich, S. A. Vyrko +6
The atomic and band structures of the (6,0) zigzag carbon nanotube at its axial elongation are calculated by semiempirical molecular orbital and by tight-binding methods. The groun…
Effect of Peierls transition in armchair carbon nanotube on dynamical behaviour of encapsulated fullerene
N. A. Poklonski, S. A. Vyrko, E. F. Kislyakov +7
The changes of dynamical behaviour of a single fullerene molecule inside an armchair carbon nanotube caused by the structural Peierls transition in the nanotube are considered. The…
Analog of the Auger effect in radiative decay of a trion in a quantum well
N. A. Poklonski, A. I. Syaglo, S. A. Vyrko
We have analyzed the energetics of decay of the X^- trion (exciton + electron) on the assumption that the exciton and trion are independent excitations of a single two-dimensional…
Magnetically operated nanorelay based on two single-walled carbon nanotubes filled with endofullerenes Fe@C20
N. A. Poklonski, E. F. Kislyakov, S. A. Vyrko +7
Structural and energy characteristics of the smallest magnetic endofullerene Fe@C20 have been calculated using the density functional theory approach. The ground state of Fe@C20 is…
Interwall conductance in double-walled armchair carbon nanotubes
N. A. Poklonski, Nguyen Ngoc Hieu, E. F. Kislyakov +4
The dependence of the interwall conductance on distance between walls and relative positions of walls are calculated at the low voltage by Bardeen method for (n,n)@(2n,2n) double-w…
Uniaxially deformed (5,5) carbon nanotube: Structural transitions
N. A. Poklonski, E. F. Kislyakov, Nguyen Ngoc Hieu +4
The Kekule structure of the ground state of (5,5) armchair carbon nanotube is revealed by semiempirical molecular orbital calculations. This structure has bonds with two different…