Figure 2.

(a) Calculated current–voltage characteristics for the pyridine-linked junction at different cluster sizes (1, 2, 3, 4, 9, and 16 molecules) and for the monolayer junction. The current was divided by the number of molecules in the unit cell and, hence, reflects a current per molecule. (b) Corresponding (zero-bias) transmission functions in the energy range of the lowest unoccupied transmission channels for increasing cluster size. The Fermi level, E_F, is used as the reference energy. (c) (Zero-bias) transmission plotted per molecule and on a logarithmic scale including the situation for the monolayer junction (dashed line).