Energy barriers at grain boundaries dominate charge carrier transport in an electron-conductive organic semiconductor.

摘要: Semiconducting organic films that are at the heart of light-emitting diodes, solar cells and transistors frequently contain a large number morphological defects, most prominently interconnects between crystalline regions. These grain boundaries can dominate overall (opto-)electronic properties entire device their exact energetic nature is still under current debate. Here, we explore in detail energetics novel electron conductive perylene diimide thin film. Via combination temperature dependent charge transport measurements ab-initio simulations atomistic resolution, identify barriers our system. This aspect physics boundary distinct from previously identified grain-boundary defects had been explained by trapping charges. We furthermore derive molecular design criteria to suppress such future, more efficient semiconductors.