Nanotubes of length L with SP-MC linear density of NSM were simulated. The SP-MC molecules were randomly distributed along the nanotube length. The positions of the SP-MC molecules were fixed for each simulated nanotube. Each of them was simulated to undergo transition between two states SP and MC with residence times tSP and tMC, respectively. Initially, all SP-MC molecules are in the SP conformation. The generation probability for excitons is assumed uniform along the nanotube, and the probability for the exciton, created at x0, to recombine at a position x is given by c(x, x0, ld) = 1/(2ld) ∙ e−∣xx0∣/ld, where ld is the diffusion length of the excitons. If the exciton encounters a molecule in the MC conformation or the end of the tube during the diffusion process, it recombines nonradiatively; otherwise, it recombines in a radiative way and emits a photon. This process is repeated for every exciton generated, and the state of each SP-MC molecules was updated at the end of each integration time. The exciton generation rate is set to 133 exciton nm−1 s−1. A minimum of five nanotubes were simulated for each set of parameters (L, ld, NSM, tSP, and tMC).

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