研究目的
Investigating the charge transport properties of semicrystalline polymer (SCrP) thin films using Monte Carlo simulation, focusing on the negative field dependence of mobility (NFDM) and Arrhenius temperature dependence of mobility.
研究成果
The study successfully models the charge transport in SCrP thin films, providing new insights into the origin of NFDM and the Arrhenius temperature dependence of mobility. The NFDM is attributed to the weak dependence of transit time on electric field in crystalline regions, while the Arrhenius dependence arises from trapping and detrapping between crystalline and amorphous regions.
研究不足
The model slightly overpredicts the NFDM at low electric fields and underpredicts the magnitude of mobility at low temperatures. These discrepancies may arise from the assumption of isotropic charge transport and a single set of crystalline regions with a fixed mean of DOS.
1：Experimental Design and Method Selection:
Monte Carlo simulation was used to model charge transport in SCrP thin films, specifically Poly(3-hexylthiophene-2,5-diyl) (P3HT). The simulation considered the morphological inhomogeneity present in the films, with crystalline regions of low disorder and amorphous regions of high disorder.
2：Sample Selection and Data Sources:
The study focused on P3HT thin films, with parameters such as degree of crystallinity, energetic disorder, and wave-function overlap parameter varied to fit experimental data.
3：List of Experimental Equipment and Materials:
Not explicitly mentioned.
4：Experimental Procedures and Operational Workflow:
The simulation involved injecting one carrier at a time into an energetically disordered lattice, with carrier hopping governed by the Miller-Abrahams equation. Mobility was calculated using the drift mobility equation.
5：Data Analysis Methods:
The field and temperature dependence of mobility were analyzed to understand the charge transport mechanisms in SCrP thin films.
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