Transport Properties in the Rubrene Crystal: Electronic Coupling and Vibrational Reorganization Energy

Abstract

Rubrene has recently attracted much attention in the field of organic semiconductors because of its very high mobilities at room temperature. These observations are a priori surprising, since the tetraphenyl substitution of the tetracene backbone (see Figure) is expected to lead to weak intermolecular interactions and, as a result, low carrier mobilities. This theoretical work provides a clear explanation for the origin of the high mobilities.