manipulation of fullerenes on graphene by modification of the atomic structure
TRANSCRIPT
Manipulation of Manipulation of fullerenes on graphene fullerenes on graphene
by modification of the by modification of the atomic structureatomic 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 modelingMethod of modeling
vdWrepbondtot EEEE Total energy system
,
reprep rVE
,612
606vdW
r
1
r
1y2
1AE
Phenomenological energy
n
nE 2bond Energy of occupied electronic state
The interaction potential Van der Waals
The movement of The movement of the fullerene by the fullerene by the square the square graphene graphene sheetsheet(100 К)(100 К)
Potential well of the van der Waals the interaction of C60 with graphene
trajectory of pentagon for fullerene
Movement of Movement of fullerene on graphene fullerene on graphene nanoribbons (300K)nanoribbons (300K)
Potential well of the van der Waals the interaction of C60 with graphene
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 Movement of fullerene on fullerene on
graphene graphene containing defect containing defect
of rotation of rotation connection connection
(300K)(300K)