Optimizing the molecular structures of organic photovoltaic (OPV) materials is one of the most effective methods to boost power conversion efficiencies (PCEs). For an excellent molecular system with a certain conjugated skeleton, fine tuning the alky chains is of considerable significance to fully explore its photovoltaic potential. In this work, the optimization of alkyl chains is performed on a chlorinated nonfullerene acceptor (NFA) named BTP‐4Cl‐BO (a Y6 derivative) and very impressive photovoltaic parameters in OPV cells are obtained. To get more ordered intermolecular packing, the n‐undecyl is shortened at the edge of BTP‐eC11 to n‐nonyl and n‐heptyl. As a result, the NFAs of BTP‐eC9 and BTP‐eC7 are synthesized. The BTP‐eC7 shows relatively poor solubility and thus limits its application in device fabrication. Fortunately, the BTP‐eC9 possesses good solubility and, at the same time, enhanced electron transport property than BTP‐eC11. Significantly, due to the simultaneously enhanced short‐circuit current density and fill factor, the BTP‐eC9‐based single‐junction OPV cells record a maximum PCE of 17.8% and get a certified value of 17.3%. These results demonstrate that minimizing the alkyl chains to get suitable solubility and enhanced intermolecular packing has a great potential in further improving its photovoltaic performance.

Broadening the optical absorption of organic photovoltaic (OPV) materials by enhancing the intramolecular push-pull effect is a general and effective method to improve the power conversion efficiencies of OPV cells. However, in terms of the electron acceptors, the most common molecular design strategy of halogenation usually results in down-shifted molecular energy levels, thereby leading to decreased open-circuit voltages in the devices. Herein, we report a chlorinated non-fullerene acceptor, which exhibits an extended optical absorption and meanwhile displays a higher voltage than its fluorinated counterpart in the devices. This unexpected phenomenon can be ascribed to the reduced non-radiative energy loss (0.206 eV). Due to the simultaneously improved short-circuit current density and open-circuit voltage, a high efficiency of 16.5% is achieved. This study demonstrates that finely tuning the OPV materials to reduce the bandgap-voltage offset has great potential for boosting the efficiency.

Improving power conversion efficiency (PCE) is important for broadening the applications of organic photovoltaic (OPV) cells. Here, a maximum PCE of 19.0% (certified value of 18.7%) is achieved in single‐junction OPV cells by combining material design with a ternary blending strategy. An active layer comprising a new wide‐bandgap polymer donor named PBQx‐TF and a new low‐bandgap non‐fullerene acceptor (NFA) named eC9‐2Cl is rationally designed. With optimized light utilization, the resulting binary cell exhibits a good PCE of 17.7%. An NFA F‐BTA3 is then added to the active layer as a third component to simultaneously improve the photovoltaic parameters. The improved light unitization, cascaded energy level alignment, and enhanced intermolecular packing result in open‐circuit voltage of 0.879 V, short‐circuit current density of 26.7 mA cm−2, and fill factor of 0.809. This study demonstrates that further improvement of PCEs of high‐performance OPV cells requires fine tuning of the electronic structures and morphologies of the active layers.

The design of narrow band gap (NBG) donors or acceptors and their application in organic solar cells (OSCs) are of great importance in the conversion of solar photons to electrons. Limited by the inevitable energy loss from the optical band gap of the photovoltaic material to the open-circuit voltage of the OSC device, the improvement of the power conversion efficiency (PCE) of NBG-based OSCs faces great challenges. A novel acceptor-donor-acceptor structured non-fullerene acceptor is reported with an ultra-narrow band gap of 1.24 eV, which was achieved by an enhanced intramolecular charge transfer (ICT) effect. In the OSC device, despite a low energy loss of 0.509 eV, an impressive short-circuit current density of 25.3 mA cm is still recorded, which is the highest value for all OSC devices. The high 10.9 % PCE of the NBG-based OSC demonstrates that the design and application of ultra-narrow materials have the potential to further improve the PCE of OSC devices.

An alloy-like model based on Y6 and its derivative BTP-M is constructed to fabricate ternary organic solar cells, leading to a best efficiency of 17.03%.

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inorganic photovoltaic cells based on crystal-silicon, the solution processability of OPV cells makes it suitable for the largescale solution production at room temperature via the roll-to-roll method, which promises low-cost and large area device fabrication onto flexible substrates. [4][5][6] Benefiting from the great efforts devoted to the design of new materials, [7][8][9][10][11][12][13] optimization of the blend morphology, [14][15][16][17][18] understanding the charge generation mechanism, [19][20][21][22][23][24][25][26] significant progress has been achieved in the last few years. Recently, the power conversion efficiencies (PCEs) of OPV cells have surpassed ≈15%. [27][28][29] However, the devices with cutting-edge performance are fabricated using highly toxic solvents like chlorinated and/or aromatic solvents, which is not adaptable for large-scale production and becoming a severe problem that hinders the mass production of the OPV cells. Therefore, the material design of OPV materials should take both the efficiency and processability into consideration.At present, the commonly used processing solvents for high-performance OPV materials are chlorobenzene (CB) and chloroform (CF), as they possess excellent dissolving capability of the highly conjugated structures. [30][31][32] Over the last few years, the design and application of nonfullerene acceptors (NFAs) have achieved Recent advances in nonfullerene acceptors (NFAs) have enabled the rapid increase in power conversion efficiencies (PCEs) of organic photovoltaic (OPV) cells. However, this progress is achieved using highly toxic solvents, which are not suitable for the scalable large-area processing method, becoming one of the biggest factors hindering the mass production and commercial applications of OPVs. Therefore, it is of great importance to get good eco-compatible processability when designing efficient OPV materials. Here, to achieve high efficiency and good processability of the NFAs in eco-compatible solvents, the flexible alkyl chains of the highly efficient NFA BTP-4F-8 (also known as Y6) are modified and BTP-4F-12 is synthesized. Combining with the polymer donor PBDB-TF, BTP-4F-12 shows the best PCE of 16.4%. Importantly, when the polymer donor PBDB-TF is replaced by T1 with better solubility, various eco-compatible solvents can be applied to fabricate OPV cells. Finally, over 14% efficiency is obtained with tetrahydrofuran (THF) as the processing solvent for 1.07 cm 2 OPV cells by the blade-coating method. These results indicate that the simple modification of the side chain can be used to tune the processability of active layer materials and thus make it more applicable for the mass production with environmentally benign solvents. Organic PhotovoltaicsOrganic photovoltaic (OPV) cells consisting of organic layers as photoactive materials are one of the most promising next-generation photovoltaic technologies to harvest clean and renewable solar energy. [1][2][3] When compared with the conventional