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Figure 5 | Nanoscale Research Letters

Figure 5

From: Effect of Peierls transition in armchair carbon nanotube on dynamical behaviour of encapsulated fullerene

Figure 5

Interaction energy between the Fe@C 20 endofullerene and (8,8) nanotube. Dependences of the interaction energy E Wi between the Fe@C20 endofullerene and individual atoms of the (8,8) nanotube on the angle φ of rotation of the endofullerene about the nanotube axis are denoted by the thin lines. Dependence of the total interaction energy E W between the Fe@C20 endofullerene and the (8,8) nanotube on the angle φ is denoted by the thick line. (a) The (8,8) carbon nanotube with the Kekule structure; (b) the (8,8) carbon nanotube with the structure of metallic phase. All energies are given relative to the energy minima. Only dependences E Wi with high values of the barriers ΔE ri are shown.

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