▎ 摘　　要

We examine the C-20 fullerene molecule placed within a pair of graphene sheets, working as nano-electrodes in a two probe configuration. Afterwards these set of carbon graphene sheets is replaced with its hybrid structures, the boron and nitrogen sheets, thus constructing another two different molecular junctions. These junctions are later contemplated using non-equilibrium Green's function based on density functional theory for their electronic and electrical parameters. We investigate the density of states, transmission spectrum, molecular orbitals, current and differential conductance characteristics at discrete bias voltages to get the insight about various transport phenomena occurring in three molecular junctions. The results conclude that the graphene sheets when applied as electrodes, allow the C-20 fullerene to acts as metallic molecule especially when placed in-between the boron sheets. Furthermore, the computations predict the presence of negative differential resistance in the ballistic current of boron sheet device and carbon sheet device.