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. 2023 Sep 27;14(39):8867–8873. doi: 10.1021/acs.jpclett.3c02305

Figure 1.

Figure 1

(a) IDTBT16 monomer and polymer models with different molecular weights (Mn). (b) Two consecutive annealing cycles based on a sub-Tg equilibration protocol (the simulation Tg of IDTBT was estimated around 510 K, see SI section 2). (c) End-to-end distance (Le) of polymer as a function of time/annealing cycles and the normalized Le by polymer contour lengths (Lc). The dashed line shows the calculated Le value for IDTBT16-20 based on the worm-like chain model (see SI section 2 for calculations).