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The effect of the occurrence of a magnetic field of a current loop in hybrid graphene / C60 carbon systems

In this article, using in silico methods we investigate the simultaneous effect of temperature, external electric field, and structural defects of graphene atomic network on the patterns of positioning of the C60 molecule on a graphene sheet. The conditions for the appearance of a circular current on graphene during the ordered motion of a charged C60 fullerene controlled by regularly adsorbed hydrogen atoms and external electric field are found. Numerical experiments are carried out using the molecular dynamics and the self-consistent charge density functional tight-binding (SCC-DFTB) method. It is found that at a temperature of 175 K and an electric field strength of 1∙106 V / m, the circular current value is ~10.4 nA. The magnetic field induced by the circular current is 6.2 μT. It is shown that the appearance of a circular current is caused by two most important factors: the arrangement of hydrogen atoms on graphene and the temperature. A defect in the form of chemically adsorbed hydrogen atoms should form a bowl-shaped well in the energy surface of interaction of C60 with grapheme, along the edges of which the fullerene will make a circular motion. As a way to amplify the circular current and induced magnetic field, it is proposed to vary the size of the local hydrogenation region of graphene. The external electric field directs the charged fullerene C60 to the defect region. It is predicted that the detected physical effect can be the basis for operation of new miniature magnetic field sources for various nanodevices.