Documento PDF - UniCA Eprints - Università degli studi di Cagliari.
Documento PDF - UniCA Eprints - Università degli studi di Cagliari.
Documento PDF - UniCA Eprints - Università degli studi di Cagliari.
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20 p3ht - poly(3-hexylthiophene)Figure 2.3.: Assembling of P3HT molecules. In the h-mechanism theassembling of single P3HT chains is driven by the π − πinteractions, resulting in the formation of h-foil (left). Inthe s-mechanism the assembling brings to the formationof s-foils (right).Figure 2.4.: Static interaction between two P3HT chains at <strong>di</strong>fferentπ − π <strong>di</strong>stances.a (inter<strong>di</strong>gitation) is sizably smaller (as small as ∼ 0.1 eV/thiophene),showing a weak interaction between hexyl groupsof neighboring chains [3]. Notably, the two minima of Figure2.7 can be linked to the correspon<strong>di</strong>ng minima of theedge-to-edge (Figure 2.5) and face-to-face curves (Figure 2.4).The A ′ absolute minimum at <strong>di</strong>stances lower than 14 Å,in Figure 2.7 corresponds to a ideal situation where thepolymer chains (in vacuo and at low T) are fully inter<strong>di</strong>gitated.This is unlike to occur in real systems at finite temperaturewhere the thermal fluctuations of hexyl chainsand other sources of <strong>di</strong>sorder (such as solvents and chemicalcontaminants) hinder the perfect inter<strong>di</strong>gitation. This