Donor-acceptor conjugated polymers are considered advanced semiconductor materials for the development of thin-film electronics. One of the most attractive families of polymeric semiconductors in terms of photovoltaic applications are benzodithiophene-based polymers owing to their highly tunable electronic and physicochemical properties, and readily scalable production. In this work, we report the synthesis of three novel push–pull benzodithiophene-based polymers with different side chains and their investigation as hole transport materials (HTM) in perovskite solar cells (PSCs). It is shown that polymer P3 that contains triisopropylsilyl side groups exhibits better film-forming ability that, along with high hole mobilities, results in increased characteristics of PSCs. Encouraging a power conversion efficiency (PCE) of 17.4% was achieved for P3-based PSCs that outperformed the efficiency of devices based on P1, P2, and benchmark PTAA polymer. These findings feature the great potential of benzodithiophene-based conjugated polymers as dopant-free HTMs for the fabrication of efficient perovskite solar cells.

Crystalline and liquid-crystalline conjugated small molecules represent a promising family of semiconductor materials for organic electronics applications. The control of morphology and optoelectronic properties of small molecules allows tuning their...

Conjugated small molecules are advanced semiconductor materials with attractive physicochemical and optoelectronic properties enabling the development of next‐generation electronic devices. The charge carrier mobility of small molecules strongly influences the efficiency of organic and hybrid electronics based on them. Herein, we report the synthesis of four novel small molecules and their investigation with regard to the impact of molecular structure and thermal treatment of films on charge carriers mobility. The benzodithiophene‐containing compounds (BDT) were shown to be more promising in terms of tuning the morphology upon thermal treatment. Impressive enhancement of hole mobilities by more than 50 times was found for annealed films based on a compound M4 comprising triisopropylsilyl‐functionalized BDT core. The results provide a favorable experience and strategy for the rational design of state‐of‐the‐art organic semiconductor materials (OSMs) and for improving their charge‐transport characteristics.

The design of new organic materials for redox‐flow batteries is an actively developing topic in the field of energy storage. Herein, two novel redox‐active organic molecules were presented, based on benzoxadiazole and benzothiadiazole cores bearing ethylene glycol substituents, which were first synthesized and evaluated as anolytes in nonaqueous all organic redox flow batteries. These two molecules were compared with their unsubstituted analogs in terms of electrochemistry, solubility and RFB cycling behavior. Substituted benzoxadiazole and benzothiadiazole possess low redox potentials near −2.1 V vs. Fc/Fc+, increased solubility in organic solvents, reduced permeability through the membrane and higher stability under charge‐discharge cycling in laboratory RFB cells than unsubstituted counterparts.

Perovskite solar cells (PSCs) currently reach high efficiencies, while their insufficient stability remains an obstacle to their technological commercialization. The introduction of hole-transport materials (HTMs) into the device structure is a key approach for enhancing the efficiency and stability of devices. However, currently, the influence of the HTM structure or properties on the characteristics and operational stability of PSCs remains insufficiently studied. Herein, we present four novel push-pull small molecules, H1-4, with alternating thiophene and benzothiadiazole or fluorine-loaded benzothiadiazole units, which contain branched and linear alkyl chains in the different positions of terminal thiophenes to evaluate the impact of HTM structure on PSC performance. It is demonstrated that minor changes in the structure of HTMs significantly influence their behavior in thin films. In particular, H3 organizes into highly ordered lamellar structures in thin films, which proves to be crucial in boosting the efficiency and stability of PSCs. The presented results shed light on the crucial role of the HTM structure and the morphology of films in the performance of PSCs.