Low Temperature Physics: 44, 918 (2018); https://doi.org/10.1063/1.5052677
Fizika Nizkikh Temperatur: Volume 44, Number 9 (September 2018), p. 1171-1179    ( to contents , go back )

Disclination ensembles in graphene

М.А. Rozhkov1, А.L. Kolesnikova1,2, I.S. Yasnikov3, and А.Е. Romanov1

1ITMO University, 49 Kronverkskiy Pr., St. Petersburg 197101, Russia
E-mail: alexey.romanov@niuitmo.ru

2Institute of Problems of Mechanical Engineering RAS, 61 Bolshoj Pr., Vas. Ostrov, St. Petersburg 199178, Russia

3Togliatti State University, 14 Belorusskaya Str., Togliatti, 445020, Russia
pos Анотація:

Received 10 April, 2018, published online July 26, 2018

Abstract

We consider graphene disclination networks (DNs) — periodic distributions of disclination defects. Disclinations manifest themselves as 4-, 5-, 7- or 8-member carbon rings in otherwise 6-member ring ideal 2D graphene crystal lattice. Limiting cases of graphene-like 2D carbon lattices without 6-member motives, i.e., pseudo-graphenes, are also studied. The geometry and energy of disclinated 2D carbon configurations are analyzed with the help of molecular dynamics (MD) simulation technique. A comparison of the obtained MD results with analytical calculations within the framework of the theory of defects of elastic continuum is presented.

Key words: graphene; pseudo-graphene; disclination; disclinated carbon ring; disclination quadrupole; disclination network; molecular dynamics.

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