Fig. 2: Electron transport modeling at the junction.
From: Hybrid molecular graphene transistor as an operando and optoelectronic platform
Band diagram illustrations at (a) –1 V and (b) +1 V bias. Fermi levels of electrodes, EAu/SC11Fc and EGr, are calculated from the work functions obtained by UPS experiments in Supplementary Fig. 8 (ΦGr = 4.5 eV, ΦAu/SC11Fc = 4.5 eV). Molecular energy level, EH = −5 eV, is found from cyclic voltammetry experiments and Eq. 2. Voltage drop within the junction, is represented by η. It is both set to η = 0.7 as standard value for EGaIn top electrode6 and η = 0.5 as a value explaining the loss of rectification with graphene top electrode. c Operation regions for molecular diodes connected with Au and Gr electrodes as a function of the voltage drop within the junction. White and blue backgrounds represent forward and reverse regimes respectively. d DFT calculated I (V) curve for a single Au/SC11Fc//Gr molecular junction. Inset: Schematic representation of the calculated single molecular junction.
