Graphene nanogap for gate tunable quantu

We present atomistic calculations of quantum coherent electron transport through fulleropyrrolidine terminated molecules bridging a graphene nanogap. The objective of this study is to demonstrate how graphene contacts can resolve three significant challenges in molecular electronics when single molecules are used: (1) a back gate to modulate the Fermi level in graphene leads allows for a high on/off current ratio in device conductance control; (2) the mismatch in size between leads and molecules is effectively mitigated, contrasting with conventional metal contacts; and (3) distinct charge flow patterns throughout the device become measurable using scanning techniques. Our methodology involves simulations to examine electron transport efficiencies while accounting for graphene's moderate edge disorder, showing its negligible impact on the transistor functionality. The results reveal that leveraging graphene's unique properties facilitates the development of tunable molecular electronic devices, potentially paving the way for advancements in the field of nanoelectronics.