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Numerical modelling of non-fullerene organic solar cell with high dielectric constant ITIC-OE acceptor
摘要： The low dielectric constant of organic semiconductors has been a limiting factor in the organic photovoltaics. Non-Fullerene Acceptor Bulk Heterojunction (NFA-BHJ) organic solar cells with high dielectric constant acceptors have been gaining a lot of attention. No simulation work has been done on NFA-BHJ organic solar cell with a high dielectric constant acceptor so far to study the influence of various material parameters on the device performance. In this work, a comprehensive device modelling of the conventional structure of NFA-BHJ with poly[(2,6-(4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b]dithiophene)-co-(1,3-di(5-thiophene-2-yl)-5,7-bis(2-ethylhexyl)benzo[1,2-c:4,5-c]dithiophene-4,8-dione)] (PBDB-T)as the polymer donor and (3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone)-5,5,11,11-tetraki(4-hexylphenyl)-dithieno [2,3-d:2,3-d]-s-indaceno [1,2-b:5,6-b]dithiophene)) with Oligo-Ethylene side chain (ITIC-OE) as the non-fullerene acceptor is performed. We did a detailed analysis on the impact of technological parameters on the cell performance and optimized the device characteristics to produce improved efficiency. Numerical simulation is done using SCAPS 1-D program and the validity of simulated output has been verified by comparing with the measurements from reported literature. Optimization of the device parameters produced an improved device performance with an open circuit voltage of 0.9562 V, short circuit current density of mA/cm2, Fill factor of 69.75 % and a power conversion efficiency of 11%. The results are encouraging to develop NFA-BHJ organic solar cells with high dielectric constant acceptors in the near future.
关键词： numerical modelling,Non-Fullerene Acceptor Bulk Heterojunction,high dielectric constant,ITIC-OE acceptor,organic solar cells
更新于2025-09-23 15:19:57
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Bromination of the Small-Molecule Acceptor with Fixed Position for High-Performance Solar Cells
摘要： Brominated A?D?A-type small-molecule acceptor ITIC-2Br-γ with certain molecular structure was designed and synthesized. Compared to the mixture of three isomers (ITIC-2Br-m), ITIC-2Br-γ shows stronger absorption in the region of 600?800 nm, which is beneficial to afford higher JSC. Furthermore, single-crystal structure analysis of ITIC-2Br-γ indicates that although the bromine atom has a larger size, the end groups of adjacent molecules still exhibit strong interactions with short π?π distance of 3.28 ?. Because of the Br···S and O···S interactions, all molecules form an interpenetrated three-dimensional network, which is beneficial for the charge to transport along multidirections. The organic solar cells (OSCs) based on the PBDB-T-2F:ITIC-2Br-γ blend film exhibit a higher power conversion efficiency (PCE) of 12.05% due to its better film morphology and higher charge mobilities, whereas a PBDB-T-2F:ITIC-2Br-m-based device only shows a moderate PCE of 10.88%. These results indicate that separation and purification of the brominated A?D?A-type small molecules are an effective way to further improve their photovoltaic performances. Furthermore, bromination is easily synthesized and is of low-cost, which exhibits great potential for the preparation of large-scale OSCs.
关键词： Brominated A?D?A-type small-molecule acceptor,ITIC-2Br-γ,organic solar cells,power conversion efficiency,charge transport
更新于2025-09-12 10:27:22
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Intrinsic Photo-degradation and Mechanism of Polymer Solar Cells: The crucial role of Non-fullerene Acceptor
摘要： The performances of polymer solar cells (PSCs) based on non-fullerene acceptors (NFAs) have improved remarkably in recent years, but such devices are insufficiently stable for practical applications. Here, we investigated the effects of NFAs on PSC long-term stability. We found that high performance PBDB-T:ITIC solar cells exhibit much lower stability than PTB7:PC71BM devices in the 1 sun light-soaking test; when compared with their initial performances, the performance of PTB7:PCBM-based solar cells remains above 60% for over 4000 h, whereas that of PBDB-T:ITIC-based devices is reduced to one fifth after 1000 h. We demonstrated that the ITIC-based PSCs exhibit poor photo-stability because ITIC at the interface of the ZnO/active film is readily decomposed by a photocatalytic reaction; this poor stability arises because the vinyl group of ITIC is chemically more vulnerable than the stable aromatic units in the organic active materials. The decomposition of ITIC results in the degradation of the electron transport properties of the active materials located close to ZnO, which leads to severe burn-in degradation and reduced FF and VOC under illumination. It is thus highly important to develop intrinsically stable organic materials composed of chemically stable building blocks in order to realize stable and high efficiency PSCs.
关键词： polymer solar cells,photocatalytic reaction,non-fullerene acceptors,photo-stability,ITIC
更新于2025-09-11 14:15:04