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Effects of the Isomerized Thiophene-Fused Ending Groups on the Performances of Twisted Non-Fullerene Acceptor-Based Polymer Solar Cells.
摘要： Recently, benefiting from the merits of small molecule acceptors (NFAs), polymer solar cells (PSCs) have achieved tremendous advances. From the perspective of the structural characteristics of the π-conjugated acceptor-donor-acceptor (A-D-A)-type of organic molecules, the backbone’s planarity, as well as the terminal groups and their substituents, have strong influences on the performances of the constructed NFAs. Through enlarging the dihedral angle of the conjugated main-chain of NFAs, a certain degree of enhanced photovoltaic parameters have been achieved. To further probe the influences of ending groups on the performances of nonplanar NFAs, we synthesized two new NFAs of i-cc23 and i-cc34 with isomerized thiophene-fused ending groups and twisted π-conjugated main-chain. Compared to the i-cc23 containing 2-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ylidene)malononitrile ending group, the 2-(6-oxo-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ylidene)malononitrile contained acceptor i-cc34 has a relatively higher molar extinction coefficient, bathochromic-shifted absorption spectrum, and deepened energy levels. When mixed with PBDB-T in solar cells, the i-cc23-based device achieved an excellent open-circuit voltage (VOC) of 1.10 V and a moderated power conversion efficiency of 7.34%. Although the VOC of i-cc34 related device was decreased to 0.96 V, the short-circuit current density and fill factor were improved, giving rise to enhanced efficiency of 9.51%. Apart from the distinct photovoltaic performances, the two isomers-based devices exhibit high radiative efficiency of 8×10-4, leading to a very small non-radiative loss of 0.19 V. Our results emphasize the importance of the isomerized thiophene-fused ending groups on the performances of nonplanar NFAs-based PSCs.
关键词： Twisted small molecular electron-acceptors,Thiophene-fused ending groups,Polymer solar cells,Isomerized end-groups,Non-radiative energy loss
更新于2025-09-23 15:21:01
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Tuning the hybridization of local exciton and chargea??transfer states in highly efficient organic photovoltaic cells
摘要： Decreasing the energy loss is one of the most feasible ways to improve the efficiencies of organic photovoltaic (OPV) cells. Recent studies have suggested that non-radiative energy loss (ΔEnr) is the dominant factor that hinders further improvements in state-of-the-art OPV cells. However, there is no rational molecular design strategy for OPV materials with suppressed ΔEnr. In this work, taking molecular surface electrostatic potential (ESP) as a quantitative parameter, we establish a general relationship between chemical structure and intermolecular interactions. The results reveal that increasing the ESP difference between donor and acceptor will enhance the intermolecular interaction. In the OPV cells, the enhanced intermolecular interaction will increase the charge transfer (CT) state ratio in its hybridization with local exciton to facilitate the charge generation but simultaneously result in a larger ΔEnr. These results suggest that finely tuning the ESP of OPV materials is a feasible method to further improve the efficiencies of OPV cells.
关键词： hybridization,charge transfer state,intermolecular interaction,organic photovoltaic cells,non-radiative energy loss
更新于2025-09-23 15:19:57
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Optimized Molecular Packing and Nonradiative Energy Loss Based on Terpolymer Methodology Combining Two Asymmetric Segments for High-Performance Polymer Solar Cells
摘要： In this work, a random terpolymer methodology combining two electron-rich units, asymmetric thienobenzodithiophene (TBD) and thieno[2,3-f]benzofuran (TBF) segments, is systematically investigated. The synergetic effect is embodied on the molecular packing and nanophase when copolymerization with 1,3-bis(2-ethylhexyl)benzo[1,2-c:4,5-c']dithiophene-4,8-dione (BDD), producing an impressive power conversion efficiency (PCE) of 14.2% in IT-4F based NF-PSCs, which outperformed the corresponding D-A copolymers. The balanced aggregation and better interpenetrating network of the TBD50:IT-4F blend film can lead to mixing region exciton splitting and suppress carrier recombination, along with high yields of long-lived carriers. Moreover, the broad applicability of terpolymer methodology is successfully validated in most electron-deficient systems. Especially, TBD50/Y6-based device exhibits high PCE of 15.0% with a small energy loss (0.52 eV) enabled by the low non-radiative energy loss (0.22 eV), which are among the best values reported for polymers without using BDT unit to date. These results demonstrate an outstanding terpolymer approach with backbone engineering to raise the hope of achieving even higher PCEs and to enrich organic photovoltaic materials reservoir.
关键词： asymmetrical structure,microstructure,random terpolymer,nonfullerene solar cell,non-radiative energy loss,power conversion efficiency
更新于2025-09-23 15:19:57
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Tuning the hybridization of local exciton and chargea??transfer states in highly efficient organic photovoltaic cells
摘要： Decreasing the energy loss is one of the most feasible ways to improve the efficiencies of organic photovoltaic (OPV) cells. Recent studies have suggested that non-radiative energy loss ( ) is the dominant factor that hinders further improvements in state-of-the-art OPV cells. However, there is no rational molecular design strategy for OPV materials with suppressed . In this work, taking molecular surface electrostatic potential (ESP) as a quantitative parameter, we establish a general relationship between chemical structure and intermolecular interactions. The results reveal that increasing the ESP difference between donor and acceptor will enhance the intermolecular interaction. In the OPV cells, the enhanced intermolecular interaction will increase the charge transfer (CT) state ratio in its hybridization with local exciton to facilitate the charge generation but simultaneously result in a larger . These results suggest that finely tuning the ESP of OPV materials is a feasible method to further improve the efficiencies of OPV cells.
关键词： hybridization,charge transfer state,intermolecular interaction,organic photovoltaic cells,non-radiative energy loss
更新于2025-09-19 17:13:59