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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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Efficient Modulation of End Groups for the Asymmetric Small Molecule Acceptors Enabling Organic Solar Cells with over 15% Efficiency
摘要： Non-fullerene organic solar cells (OSCs) have attracted tremendous interest and made an impressive breakthrough, largely due to advances in high-performance small molecule acceptors (SMAs). The relationship between short-circuit current density (JSC) and open-circuit voltage (VOC) is usually shown as one falls and another rises. Controlling the trade-off between JSC and VOC to harvest high power conversion efficiencies (PCEs) still remains as a challenge. Herein, dithieno[3,2-b:2?,3?-d]pyrrole (DTP) based asymmetric SMAs with different chlorinated dicyanoindanone-based end groups, named TPIC, TPIC-2Cl and TPIC-4Cl, are designed and synthesized. These asymmetric acceptors exhibit remarkable red-shifted absorption profile, while energy levels are simultaneously down-shifted when the numbers of chlorine atoms alter from 0, 1 to 2, due to the gradually improved electronegativity. As a result, PM7: TPIC-4Cl based OSCs achieved a champion PCE of 15.31%, which is the highest PCEs for non-fullerene binary OSCs based on asymmetric SMAs. The superiority of PM7: TPIC-4Cl system consists of the balanced charge transport, favorable phase separation, efficient exciton dissociation and extraction, coupled with remarkable π–π stacking and crystallinity of the SMAs. Our results highlight the important strategy of asymmetric molecular design to optimize the trade-off between VOC and JSC, reaching a high PCE.
关键词： asymmetric molecular design,small molecule acceptors,chlorinated dicyanoindanone-based end groups,Non-fullerene organic solar cells,power conversion efficiencies
更新于2025-09-19 17:13:59
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Twoa??Dimension Conjugated Acceptors Based on Benzodi(cyclopentadithiophene) Core with Thiophenea??Fused Ending Group for Efficient Polymer Solar Cells
摘要： The previously reported nonfullerene small molecule ITIC-SF achieved via side chain tuning, promotes the power conversion efficiency of polymer solar cells (PSCs) with PBDB-T-SF as the donor from 10.1% and ITIC2 acceptors up to 12.2% for ITIC-SF acceptors. To further this research, benzene end groups of molecules are herein substituted with thiophene rings, obtaining two new molecules BDTCH-IC with alkylthio substituents, and BDTSF-IC with alkylthio and fluorine substituents on their thiophene-conjugated side chains. The absorption edges of BDTCH-IC and BDTSF-IC are red-shifted to 824 and 793 nm, respectively. Strengthened molecular crystallinity, promoted charge extraction, and upgraded morphology endorse the advancement of photovoltaic performance of the small molecular acceptors. Using donor PM6, the two small molecule acceptors show good photovoltaic performance, although the highest occupied molecular orbit energy offsets are small between donor and acceptor materials. As a combination of side-chain and end-group engineering, the photovoltaic performance of the PSCs is increased to 13.1%, together with the best short-circuit current (JSC) and fill factor reported thus far for this series of molecules. The results indicate that the modification of side chain and end groups is an effective way to improve the photovoltaic performance of small molecule acceptors.
关键词： small molecules acceptors,nonfullerenes,end groups,side-chain engineering,polymer solar cells
更新于2025-09-19 17:13:59