Rational design of molecular crystals for enhanced charge transfer properties

Abstract

Here, using solution based self-assembly, we contrast a three-dimensional co-crystal, where a [1]benzothieno[3,2-b][1]benzothiophene (BTBT) based donor and a tetracyanoquinodimethane (TCNQ) based acceptor leads to a mixed stacking sequence with pronounced intermolecular hybridization, with the donor–acceptor bilayer. Despite a comparable increase in conductivity, we observe a co-crystal with unique mechano-pyro-electric coupling properties.