Figure 2.

Energy level schemes for three selected systems. The systems’ Fermi level is shown together with the density of states projected onto the SAM and 2P atoms (cyan and red curves); the HOPS and LUPS are drawn as horizontal lines. The work-function Φ of gold and the work-function changes due to the SAM adsorption, ΔΦ_SAM, and the inclusion of the 2P layer, ΔΦ_2P, are also shown (when present). Vacuum-level alignment between the SAM and the OSC applies to system 7 (a). The Fermi level is pinned at the LUPS of 2P in system 1 (b) and at the HOPS of 2P in system 11 (c).