Electronic Non-Resonant Tunneling through Diaminoacenes: A First-Principles Investigation

The electron transport through diaminoacenes sandwiched between two Au electrodes is simulated by using a first-principles analysis. The nonlinear current-voltage characteristic is observed. Effects of the ring number and positions of amine groups on equilibrium transport properties are found. For 1,4 series, the greater the number of the rings, the stronger the transmission spectrum near the Fermi energy. For 2,6 series, the larger the number of the rings, the weaker the transmission spectrum near the Fermi energy. This is helpful for understanding the recently reported results on conductance measurements using amines.