A model for charge transport in semicrystalline polymer thin films

Abstract

A model for simulating the charge transport properties of semicrystalline polymer (SCrP) using Monte Carlo simulation is reinvented. The model is validated by reproducing the experimentally observed field and temperature dependence of mobility in Poly(3-hexylthiophene-2,5-diyl) (P3HT) thin films. This study also provides a new physical insight to the origin of much debated negative field dependence of mobility (NFDM) observed at low electric field strengths in P3HT thin films. The observed NFDM, which is not explainable with the mechanisms proposed earlier, is attributed to the weak dependence of transit time on the applied electric field strengths. In the semicrystalline films, the charge transport takes place mostly through the crystalline regions, in which the charge transport is weakly dependent on the strength of the applied electric field. In addition, a possible explanation for the origin of Arrhenius temperature dependence of mobility (lnμ / 1/T) commonly observed in SCrP thin films is also proposed. field dependence of mobility; poly(3-hexylthiophene-2,5-diyl); semicrystalline polymers degree of delocalization and variance of Gaussian DOS inside the crystalline regions of SCrP. P3HT is an ideal model polymer to test theory because the optoelectronic properties of Additional Supporting Information may be found in the online version of this article.

Reflection-influenced circularly polarised luminescence in dye-embedded polymer-stabilised cholesteric liquid crystal films

“…Since the substrate PET film was monoaxially stretched, it may exhibit a highly anisotropic characteristic. 14 h ,29 The CPL measurements with front-and-back side flipping of the PSCLC film were considered. 14 h ,30 Herein, the PET substrate side placed close to PMMA was noted as “side A” (Scheme S2c, ESI†), while PSCLC side close to PMMA film was noted as “side-B” (Scheme S2d, ESI†).…”

The Impact of Grain Boundaries on Charge Transport in Polycrystalline Organic Field‐Effect Transistors

“…The higher disorder parameter represents the supposedly higher energetic disorder in the non‐crystallite regions. [ 29 ] The center of the DOS of the GB is shifted with respect to the energetic center of the crystallite, as illustrated in Figure 2e.…”

Recent Advances of Film–Forming Kinetics in Organic Solar Cells

“…Here, we summarize in Table 1 the critical works on film-forming kinetics in OSCs, and the cartoon illustration is shown in Figure 2. Due to the semicrystalline character of the conjugated molecules, the crystalline phase and amorphous phase always coexist in the active layer [78][79][80][81][82][83]. For the crystalline phase, the degree of intermolecular coupling is high, which reduces the energy barrier of carrier transport and is of benefit for carrier mobility [84].…”