Perylenediimide regioisomers with tunable physicochemical and charge-transport properties

Abstract

Two PDI regioisomers with the central core substituted at ortho (Y-αPDI) and bay (Y-βPDI) areas of PDIs were successfully prepared. The regioisomeric effects on the physicochemical and charge-transport properties were...

Backbone-shape engineering of fused-ring electron-deficient molecular semiconductors for unipolar n-type organic transistors: synthesis, conformation changes, and structure–property correlations

“…Methyl groups were reasonably used for N -substituents and alkyl side groups to shorten the calculation time without scarifying the accuracy. 44 Fig. 3a–c summarizes the top view and side view of the optimized molecular conformations of the three molecules.…”

Design of Novel Functional Conductive Structures and Preparation of High-Hole-Mobility Polymer Transistors by Green Synthesis Using Acceptor–Donor–Acceptor Strategies

“…PTVDPP-BSz has a high LUMO level and an appropria HOMO level and therefore has the potential to be a hole-transporting P-type material r ther than an electron-transporting material. Meanwhile, the shallow HOMO energy lev favors hole injection and transport [2]. The discrepancy between the experimentally d rived energy levels of the frontier orbitals and those derived from theoretical simulatio is mainly due to the fact that the effective conjugation lengths of the dimers differ sign icantly from those of the actual macromolecules.…”

“…Carrier transport in conjugated organics based on alternating arrangements of single and double bonds enables conductive applications, which is the most fundamental chemical logic of organic optoelectronic research [1][2][3]. Various electronic applications including organic light-emitting transistors, chemical sensors, electrochemical transistors, thermoelectrics, perovskite solar cells, etc., are composed of organic small molecules and/or polymers as the core determinants of device performance [4][5][6][7][8][9][10].…”

Perylene-diimide for organic solar cells: current scenario and prospects in molecular geometric, functionalization, and optoelectronic properties

“…Consequently, chemists are utilized in the production of non-planar PDI derivatives, which have the potential to increase the overall performance of the devices. 89–93 There are many methods available for lowering the level of intra-molecular competition, such as the production of helical oligomers or the utilization of planar perylene monomers in the construction of 3D networks. For example, PDI 's imide and bay sites benefit greatly from the addition of branched alkyl chains or aromatic groups.…”