31 citations · 117 across the 7 of their papers we have counts for
7 papers
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…
Transformation of a graphene nanoribbon into a hybrid 1D nanoobject with alternating double chains and polycyclic regions
Alexander S. Sinitsa, Irina V. Lebedeva, Yulia G. Polynskaya +6
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 alterna…
Molecular Dynamics Study of sp-Defect Migration in Odd Fullerene: Possible Role in Synthesis of Abundant Isomers of Fullerenes
Alexander S. Sinitsa, Irina V. Lebedeva, Yulia G. Polynskaya +2
To explain recent experiment showing the role of odd fullerenes in formation of abundant fullerene isomers a reactive molecular dynamics (MD) study has been performed. Three types…
Long triple carbon chains formation by heat treatment of graphene nanoribbon: Molecular dynamics study with revised Brenner potential
Alexander S. Sinitsa, Irina V. Lebedeva, Andrey M. Popov +1
The method for production of atomic chains by heating of graphene nanoribbons (GNRs) is proposed and studied by molecular dynamics simulations. The Brenner potential is revised to…
Transformation of amorphous carbon clusters to fullerenes
Alexander S. Sinitsa, Irina V. Lebedeva, Andrey M. Popov +1
Transformation of amorphous carbon clusters into fullerenes under high temperature is studied using molecular dynamics simulations at microsecond times. Based on the analysis of bo…
Formation of nickel clusters wrapped in carbon cages: towards new endohedral metallofullerene synthesis
Alexander S. Sinitsa, Thomas W. Chamberlain, Thilo Zoberbier +7
In spite of the high potential of endohedral metallofullerenes (EMFs) for application in biology, medicine and molecular electronics and recent efforts in EMF synthesis, the variet…