Full text loading...
Sketch structures of four molecules in our simulation : M1 (m = 0, n = 4), M2 (m = 1, n = 43), M3 (m = 2, n = 2), and M4 (m = 3, n = 1).
The calculated I-V characteristics for models M1-M4. The inset figure is the corresponding rectifying ratios as a function of the applied bias from 0.2 to 1.4 V.
The transmission spectra of M1-M4 at zero bias.
The transmission coefficient, the HOMO-1, HOMO from −0.8 V to 0.8 V in step of 0.2 V. The region between two solid lines is bias window and the green part denotes the real integral area of the bias window.
The electrostatic potential distribution of models M1-M4 at zero bias.
The MPSH states of HOMO-2, HOMO-1, HOMO and LUMO of M1-M4 at zero bias.
Article metrics loading...