Manipulation of fullerenes on graphene by modification of the atomic structure.

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Presentation transcript:

Manipulation of fullerenes on graphene by modification of the atomic structure

The aim of the work is to identify the patterns of behavior of C60 on graphene and find an effective way to manipulate the fullerene molecules on graphene

Method of modeling Total energy system Phenomenological energy Energy of occupied electronic state The interaction potential Van der Waals

The movement of the fullerene by the square graphene sheet(100 К) Potential well of the van der Waals the interaction of C60 with graphene trajectory of pentagon for fullerene

Movement of fullerene on graphene nanoribbons (300K) Potential well of the van der Waals the interaction of C60 with graphene

Rotational trajectory of the C60 at 300 K.

The trajectory of the C60 fullerene with charge + 1e on graphene nanoribbons under the influence of an external electric field strength E = 1 × 108 V / m along axis Y. Motion of the charged fullerene on graphene nanoribbons

The trajectory of the C60 fullerene with charge + 2e on graphene nanoribbons under the influence of an external electric field strength E = 1 × 108 V / m along axis Y.

The trajectory of the C60 fullerene with charge + 2e on graphene nanoribbons under the influence of an external electric field strength E = 1 × 108 V / m the Y-axis and the intensity E = 1 x 108 V / m, and E = 1 x 107 V / m along the axis X.

The trajectory of the C60 fullerene with charge + 3e on graphene nanoribbons under the influence of an external electric field strength E = 1 × 107 V / m the Y-axis and the intensity E = 1 x 108 V / m, and E = -1 · 108 V / m along the axis X.

The trajectory of the C60 fullerene with charge + 3e on graphene nanoribbons under the influence of an external electric field strength E = 1 × 108 V / m along the Y axis and the intensity E = -1 · 108 V / m along the X axis in the fixed times.

Movement of fullerene on graphene containing defect of rotation bond (300K)

Movement of fullerene on graphene containing defect of rotation connection (300K)

Movement fullerene graphene containing defect rotation and communication with the hydrogen atom (300K)