activity
20092026
most citedSIESTA: recent developments and applications

544 citations · 2.3k across the 53 of their papers we have counts for

collaborators
Showing 2011Show all

5 papers · 1 filter

cond-mat.mes-hall2011★ 46 cited

Molecular dynamics simulation of the self-retracting motion of a graphene flake

Andrei M. Popov, Irina V. Lebedeva, Andrey A. Knizhnik +2

The self-retracting motion of a graphene flake on a stack of graphene flakes is studied using molecular dynamics simulations. It is shown that in the case when the extended flake i…

cond-mat.mes-hall2011★ 124 cited

Commensurate-incommensurate phase transition in bilayer graphene

Andrey M. Popov, Irina V. Lebedeva, Andrey A. Knizhnik +2

A commensurate-incommensurate phase transition in bilayer graphene is investigated in the framework of the Frenkel-Kontorova model extended to the case of two interacting chains of…

cond-mat.mes-hall2011★ 12 cited

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…

cond-mat.mes-hall2011★ 46 cited

Diffusion and drift of graphene flake on graphite surface

Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov +3

Diffusion and drift of a graphene flake on a graphite surface are analyzed. A potential energy relief of the graphene flake is computed using ab initio and empirical calculations.…

cond-mat.mes-hall2011★ 102 cited

Fast diffusion of graphene flake on graphene layer

Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov +3

Diffusion of a graphene flake on a graphene layer is analyzed and a new diffusion mechanism is proposed for the system under consideration. According to this mechanism, rotational…