Quantitative Correlation between Carrier Mobility and Intermolecular Center-to-Center Distance in Organic Single Crystals

Abstract

Charge transport properties of organic semiconductors critically depend on their molecular packing structures. Controlling the charge transport by varying the molecular packing and understanding their structure–property correlations are essential for developing high-performance organic electronic devices. Here, we demonstrate that the charge carrier mobility in organic single-crystal nanowires can be modulated with respect to the intermolecular center-to-center distance by applying uniaxial strain to the cofacially stacked crystals. Monotonic changes in charge carrier mobility (from 0.0196 to 19.6 cm2V–1s–1 for 6,13-bis(triisopropylsilylethylnyl) pentacene (TIPS-PEN)) were observed under a wide range of strains from −16.7% (compressive) to 16.7% (tensile). Furthermore, the measured values of charge carrier mobility were in good agreement with theoretical calculations based on charge localized hopping theory. These results provide a definitive relationship between intermolecular packing arrangement and cha...