In this study, using the state-space approach, the effect of electrode geometry and material on the coupling of C₆₀ and B₈₀ fullerenes to gold and silver electrodes has been investigated. This method has a low computational cost and enables precise observation of the electrode structure’s impact on coupling efficiency. The results show that B₈₀ exhibits more effective coupling compared to C₆₀, with its coupling to gold being approximately four times stronger. Additionally, both fullerenes exhibit weaker coupling with silver than with gold. Examination of the electrode structures reveals that bulk electrodes create the strongest coupling, with coupling strength up to four times higher than that of surface and linear types. Increasing the number of electrode atoms in the direction parallel to the fullerene enhances coupling, whereas in the perpendicular direction, the effect is less significant. These findings contribute to the control of coupling efficiency based on electrode material, atomic count, and geometry, and can be beneficial in the optimal design of rectifiers, nanosensors, fullerene-based solar cells, and other nanoscale electronic devices.