Fig. 4: Computational study of DOS effects with semiempirical model. | Nature Communications

Fig. 4: Computational study of DOS effects with semiempirical model.

From: Improving organic photovoltaic cells by forcing electrode work function well beyond onset of Ohmic transition

Fig. 4

a DOS models for P3HT:PCBM (red line) and PBDTTPD:PCBM (blue), both at 50 vol% donor: solid, transport DOS; dotted, first-monolayer DOS. Horizontal zero marks EV of the bulk semiconductor, EV,bulk. The optical DOS model is also shown for comparison, arbitrarily located: P3HT:PCBM (gray line) and PBDTTPD:PCBM (black), normalized to same intensity. b Fermi-level pinning plots for the two sets of DOS models. c Plot of hole density against ϕ offset by EV,bulk. σ = 75 meV, σo = 100 meV (P3HT:PCBM), 200 meV (PBDTTPD:PCBM). Other parameters are same as in Fig. 3, except for do = 12 Å; dML = 16 Å (P3HT, edge-stacked), 8 Å (PBDTTPD, face-stacked).

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