Journal articles: 'Non-fullerene acceptor (NFA)'

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Jiang, Yuanyuan, and Xiaozhang Zhu. "High-Performance Ternary Organic Solar Cells Enabled by Synergizing Fullerene and Non-fullerene Acceptors." Organic Materials 03, no. 02 (March 31, 2021): 254–76. http://dx.doi.org/10.1055/a-1472-3989.

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With the development of the non-fullerene acceptors (NFAs), the use of ternary organic photovoltaic devices based on a fullerene acceptor and a NFA is now widespread, and the merits of both acceptor types can be fully utilized. However, the effective approach of enhancing device performance is adjusting the charge dynamics and the thin-film morphology of the active layer via introducing the second acceptor, which would significantly impact the open-circuit voltage, the short-circuit current, and the fill factor, thus strongly affecting device efficiency. The functions of the second acceptor in a ternary organic solar cell with a fullerene acceptor and a NFA are summarized here. These include a broader absorption spectrum; formation of a cascade energy level or energy transfer; modified thin-film morphology including phase separation, effects on crystallinity, size, and purity of domain; and vertical distribution along with improved charge dynamics like exciton dissociation and charge transport, collection, and recombination. Then, we discuss the hierarchical morphology in ternary solar cells, which may benefit device performance, and the outlook of the ternary device.

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Im, Chan, Sang-Woong Kang, Jeong-Yoon Choi, and Jongdeok An. "Comparing Donor- and Acceptor-Originated Exciton Dynamics in Non-Fullerene Acceptor Blend Polymeric Systems." Polymers 13, no. 11 (May 28, 2021): 1770. http://dx.doi.org/10.3390/polym13111770.

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Non-fullerene type acceptors (NFA) have gained attention owing to their spectral extension that enables efficient solar energy capturing. For instance, the solely NFA-mediated absorbing region contributes to the photovoltaic power conversion efficiency (PCE) as high as ~30%, in the case of the solar cells comprised of fluorinated materials, PBDB-T-2F and ITIC-4F. This implies that NFAs must be able to serve as electron donors, even though they are conventionally assigned as electron acceptors. Therefore, the pathways of NFA-originated excitons need to be explored by the spectrally resolved photovoltaic characters. Additionally, excitation wavelength dependent transient absorption spectroscopy (TAS) was performed to trace the nature of the NFA-originated excitons and polymeric donor-originated excitons separately. Unique origin-dependent decay behaviors of the blend system were found by successive comparing of those solutions and pristine films which showed a dramatic change upon film formation. With the obtained experimental results, including TAS, a possible model describing origin-dependent decay pathways was suggested in the framework of reaction kinetics. Finally, numerical simulations based on the suggested model were performed to verify the feasibility, achieving reasonable correlation with experimental observables. The results should provide deeper insights in to renewable energy strategies by using novel material classes that are compatible with flexible electronics.

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Hasenburg, Franziska H., Kun-Han Lin, Bas van der Zee, Paul W. M. Blom, Denis Andrienko, and Gert-Jan A. H. Wetzelaer. "Ambipolar charge transport in a non-fullerene acceptor." APL Materials 11, no. 2 (February 1, 2023): 021105. http://dx.doi.org/10.1063/5.0137073.

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Charge transport is one of the key factors in the operation of organic solar cells. Here, we investigate the electron and hole transport in the non-fullerene acceptor (NFA) IT-4F, by a combination of space-charge-limited current measurements and multiscale molecular simulations. The electron and hole mobilities are fairly balanced, amounting to 2.9 × 10−4 cm2 V−1 s−1 for electrons and 2.0 × 10−5 cm2 V−1 s−1 for holes. Orientational ordering and electronic couplings facilitate a better charge-percolating network for electrons than for holes, while ambipolarity itself is due to sufficiently high electron affinity and low ionization energy typical for narrow-gap NFAs. Our findings provide a molecular-level understanding of the balanced hole and electron transport in an archetypical NFA, which may play a key role in exciton diffusion and photogenerated hole transfer in organic solar cells.

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Datt, Ram, Harrison Ka Hin Lee, Michael Spence, Matthew Carnie, and Wing Chung Tsoi. "High performance non-fullerene organic photovoltaics under implant light illumination region." Applied Physics Letters 122, no. 14 (April 3, 2023): 143906. http://dx.doi.org/10.1063/5.0144861.

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Implantable biomedical electronics, such as pacemakers, drug pumps, cochlear implants, cardioverter-defibrillators, and neurological stimulators, help humans to overcome various diseases. Currently, the power supply for these devices relies on small-size batteries, and replacement of the battery is required after running for a period of time. Recharging the battery could be a way to prolong the replacement cycle. Organic photovoltaics (OPVs) are a class of emerging photovoltaics, which are now becoming more practical with recently developed device and material engineering. The absorption of OPVs using a non-fullerene acceptor (NFA) could be extended to the near-infrared (NIR) region to cover the transmission window of human skin between 650 and 1000 nm. Motivated by this, we conducted a study of NFA-based OPVs under light irradiation of wavelengths of 650–1000 nm for implants. The devices using donor (PTB7-Th) and NFA (IEICO-4F) as the active material have strong absorption in the NIR region and obtained a promising power conversion efficiency (PCE) of 14.3% under the implant light illumination, compared to 8.11% when using a benchmark fullerene derivative-based acceptor (PC71BM). Importantly, the PCE and power density of the NFA-based OPVs are significantly higher than the previously reported fullerene-based OPVs devices. This study shows that NFA-based OPVs have high potential for future applications in powering implants, e.g., through charging batteries.

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Yang, Qing, Xuan Liu, Shuwen Yu, Zhendong Feng, Lixin Liang, Wei Qin, Youyang Wang, et al. "Hydroxylated non-fullerene acceptor for highly efficient inverted perovskite solar cells." Energy & Environmental Science 14, no. 12 (2021): 6536–45. http://dx.doi.org/10.1039/d1ee02248b.

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A hydroxylated non-fullerene acceptor (NFA) is developed to modify the interface between the perovskite and the electron transport layer in inverted perovskite solar cells (i-PSCs), achieving a record PCE of 22.09% among reported i-PSCs employing NFAs.

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Zhang, Jie, Yunjie Xiang, and Shaohui Zheng. "From Y6 to BTPT-4F: a theoretical insight into the influence of the individual change of fused-ring skeleton length or side alkyl chains on molecular arrangements and electron mobility." New Journal of Chemistry 45, no. 27 (2021): 12247–59. http://dx.doi.org/10.1039/d1nj01515j.

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Grant, Trevor M., Chloé Dindault, Nicole A. Rice, Sufal Swaraj, and Benoît H. Lessard. "Synthetically facile organic solar cells with >4% efficiency using P3HT and a silicon phthalocyanine non-fullerene acceptor." Materials Advances 2, no. 8 (2021): 2594–99. http://dx.doi.org/10.1039/d1ma00165e.

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We demonstrate organic photovoltaic devices with extremely low synthetic complexity by pairing poly(3-hexithiophene) (P3HT) with a novel non-fullerene acceptor (NFA) bis(tri-n-propylsilyl oxide) silicon phthalocyanine ((3PS)₂-SiPc).

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Lu, Qiuchen, Ming Qiu, Meiyu Zhao, Zhuo Li, and Yuanzuo Li. "Modification of NFA-Conjugated Bridges with Symmetric Structures for High-Efficiency Non-Fullerene PSCs." Polymers 11, no. 6 (June 2, 2019): 958. http://dx.doi.org/10.3390/polym11060958.

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As electron acceptors, non-fullerene molecules can overcome the shortcomings of fullerenes and their derivatives (such as high cost, poor co-solubility, and weak light absorption). The photoelectric properties of two potential non-fullerene polymer solar cells (PSCs) PBDB-T:IF-TN (PB:IF) and PBDB-T:IDT-TN (PB:IDT) are studied by density functional theory (DFT) and time-dependent DFT (TD-DFT). Based on the optimized structure of the ground state, the effects of the electron donor (D) and electron acceptor (A) (D/A) interfaces PBDB-T/IF-TN (PB/IF) and PBDB-T/IDT-TN (PB/IDT) are studied by a quantum-chemical method (QM) and Marcus theory. Firstly, for two non-fullerene acceptors (NFAs) IF-TN and IDT-TN, the NFA IDT-TN has better optical absorption ability and better electron transport ability than IF-TN. Secondly, for the D/A interfaces PB/IF and PB/IDT, they both have high optical absorption and electron transfer abilities, and PB/IDT has better optical absorption and lower exciton binding energy. Finally, some important parameters (open-circuit voltage, voltage loss, fill factor, and power conversion efficiency) are calculated and simulated by establishing the theoretical model. From the above analysis, the results show that the non-fullerene PSC PB:IDT has better photoelectric characteristics than PB:IF.

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Li, Yang, Wei Huang, Dejiang Zhao, Lu Wang, Zhiqiang Jiao, Qingyu Huang, Peng Wang, Mengna Sun, and Guangcai Yuan. "Recent Progress in Organic Solar Cells: A Review on Materials from Acceptor to Donor." Molecules 27, no. 6 (March 10, 2022): 1800. http://dx.doi.org/10.3390/molecules27061800.

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In the last few decades, organic solar cells (OSCs) have drawn broad interest owing to their advantages such as being low cost, flexible, semitransparent, non-toxic, and ideal for roll-to-roll large-scale processing. Significant advances have been made in the field of OSCs containing high-performance active layer materials, electrodes, and interlayers, as well as novel device structures. Particularly, the innovation of active layer materials, including novel acceptors and donors, has contributed significantly to the power conversion efficiency (PCE) improvement in OSCs. In this review, high-performance acceptors, containing fullerene derivatives, small molecular, and polymeric non-fullerene acceptors (NFAs), are discussed in detail. Meanwhile, highly efficient donor materials designed for fullerene- and NFA-based OSCs are also presented. Additionally, motivated by the incessant developments of donor and acceptor materials, recent advances in the field of ternary and tandem OSCs are reviewed as well.

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Yang, Chenyi, Shaoqing Zhang, Junzhen Ren, Mengyuan Gao, Pengqing Bi, Long Ye, and Jianhui Hou. "Molecular design of a non-fullerene acceptor enables a P3HT-based organic solar cell with 9.46% efficiency." Energy & Environmental Science 13, no. 9 (2020): 2864–69. http://dx.doi.org/10.1039/d0ee01763a.

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Mumyatov, Alexander V., and Pavel A. Troshin. "A Review on Fullerene Derivatives with Reduced Electron Affinity as Acceptor Materials for Organic Solar Cells." Energies 16, no. 4 (February 15, 2023): 1924. http://dx.doi.org/10.3390/en16041924.

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Organic solar cells (OSCs) represent a promising emerging photovoltaic technology offering such benefits as light weight, mechanical flexibility, semitransparency, environmental friendliness and aesthetic design of solar panels. Furthermore, organic solar cells can be produced using scalable and high-throughput solution-based printing and coating technologies, which are expected to lead to very low product costs. Fullerene derivatives have been used as acceptor materials in virtually all efficient organic solar cells for more than two decades, following the demonstration of the first proof-of-concept devices in the middle of 1990s. Still, the power conversion efficiencies of fullerene-based organic solar cells became stuck at around 12% due to the suboptimal optoelectronic properties of conventional fullerene acceptors. Therefore, the latest efficiency records (>18%) for organic solar cells were set using different types of non-fullerene acceptor (NFA) materials with tailorable properties. However, NFA materials appeared to be very sensitive to light, thus impairing the operational stability of OSCs. On the contrary, there is growing evidence that rationally designed fullerene-based acceptors enhance the photostability of conjugated polymers and also NFAs, when used in ternary blends. Hence, a renaissance of fullerene-based materials is currently expected in the context of their use in multicomponent organic solar cells (e.g., as stabilizers) and also lead halide perovskite solar cells, where they play an important role of electron transport materials. The success in both of these applications requires the tunability of optoelectronic characteristics of fullerene derivatives. In particular, electron affinity of the fullerene cage has to be reduced in many cases to match the energy levels of other absorber material(s). Herein, we present a systematic review of different strategies implemented to reduce the acceptor strength of the fullerene derivatives and the results of their performance evaluation in OSCs with model conjugated polymers. Particular attention is paid to correlations between the chemical structure of organic addends and their influence on the electronic properties of the fullerene core. We believe this review would be valuable to researchers working on the rational design of new fullerene-based materials with tailored properties for photovoltaic and other electronic applications.

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Lee, Dongchan, Do Hui Kim, Chang-Mok Oh, Sujung Park, Narra Vamsi Krishna, Febrian Tri Adhi Wibowo, In-Wook Hwang, Sung-Yeon Jang, and Shinuk Cho. "Investigation of Hole-Transfer Dynamics through Simple EL De-Convolution in Non-Fullerene Organic Solar Cells." Polymers 15, no. 20 (October 10, 2023): 4042. http://dx.doi.org/10.3390/polym15204042.

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In conventional fullerene-based organic photovoltaics (OPVs), in which the excited electrons from the donor are transferred to the acceptor, the electron charge transfer state (eECT) that electrons pass through has a great influence on the device’s performance. In a bulk-heterojunction (BHJ) system based on a low bandgap non-fullerene acceptor (NFA), however, a hole charge transfer state (hECT) from the acceptor to the donor has a greater influence on the device’s performance. The accurate determination of hECT is essential for achieving further enhancement in the performance of non-fullerene organic solar cells. However, the discovery of a method to determine the exact hECT remains an open challenge. Here, we suggest a simple method to determine the exact hECT level via deconvolution of the EL spectrum of the BHJ blend (ELB). To generalize, we have applied our ELB deconvolution method to nine different BHJ systems consisting of the combination of three donor polymers (PM6, PBDTTPD-HT, PTB7-Th) and three NFAs (Y6, IDIC, IEICO-4F). Under the conditions that (i) absorption of the donor and acceptor are separated sufficiently, and (ii) the onset part of the external quantum efficiency (EQE) is formed solely by the contribution of the acceptor only, ELB can be deconvoluted into the contribution of the singlet recombination of the acceptor and the radiative recombination via hECT. Through the deconvolution of ELB, we have clearly decided which part of the broad ELB spectrum should be used to apply the Marcus theory. Accurate determination of hECT is expected to be of great help in fine-tuning the energy level of donor polymers and NFAs by understanding the charge transfer mechanism clearly.

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Shehzad, Rao Aqil, Javed Iqbal, Muhammad Usman Khan, Riaz Hussain, Hafiz Muhammad Asif Javed, Ateeq ur Rehman, Muhammad Usman Alvi, and Muhammad Khalid. "Designing of benzothiazole based non-fullerene acceptor (NFA) molecules for highly efficient organic solar cells." Computational and Theoretical Chemistry 1181 (July 2020): 112833. http://dx.doi.org/10.1016/j.comptc.2020.112833.

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Oh, Sora, Chang Eun Song, Taeho Lee, Ara Cho, Hang Ken Lee, Jong-Cheol Lee, Sang-Jin Moon, Eunhee Lim, Sang Kyu Lee, and Won Suk Shin. "Enhanced efficiency and stability of PTB7-Th-based multi-non-fullerene solar cells enabled by the working mechanism of the coexisting alloy-like structure and energy transfer model." Journal of Materials Chemistry A 7, no. 38 (2019): 22044–53. http://dx.doi.org/10.1039/c9ta07919j.

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A simple-structured nonfullerene acceptor (NFA), T2-ORH, consisting of a bithiophene core and octyl-substituted rhodanine ends is utilized as the third component in ternary-blend solar cells with PTB7-Th and EH-IDTBR as host materials.

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Xiang, Yunjie, Chunlin Xu, and Shaohui Zheng. "Increasing Charge Carrier Mobility through Modifications of Terminal Groups of Y6: A Theoretical Study." International Journal of Molecular Sciences 24, no. 10 (May 11, 2023): 8610. http://dx.doi.org/10.3390/ijms24108610.

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The applications of non-fullerene acceptor Y6 with a new type of A1-DA2D-A1 framework and its derivatives have increased the power conversion efficiency (PCE) of organic solar cells (OSCs) up to 19%. Researchers have made various modifications of the donor unit, central/terminal acceptor unit, and side alkyl chains of Y6 to study the influences on the photovoltaic properties of OSCs based on them. However, up to now, the effect of changes of terminal acceptor parts of Y6 on the photovoltaic properties is not very clear. In the present work, we have designed four new acceptors—Y6-NO2, Y6-IN, Y6-ERHD, and Y6-CAO—with different terminal groups, which possess diverse electron-withdrawing ability. Computed results show that with the enhanced electron-withdrawing ability of the terminal group, the fundamental gaps become lower; thus, the wavelengths of the main absorption peaks of UV-Vis spectra red-shifts and total oscillator strength increase. Simultaneously, the electron mobility of Y6-NO2, Y6-IN, and Y6-CAO is about six, four, and four times faster than that of Y6, respectively. Overall, Y6-NO2 could be a potential NFA because of its longer intramolecular charge-transfer distance, stronger dipole moment, higher averaged ESP, enhanced spectrum, and faster electron mobility. This work provides a guideline for the future research on modification of Y6.

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Zhang, Shimiao, Dong Hwan Son, Rahmatia Fitri Binti Nasrun, Sabrina Aufar Salma, Hongsuk Suh, and Joo Hyun Kim. "Medium Bandgap Polymers for Efficient Non-Fullerene Polymer Solar Cells—An In-Depth Study of Structural Diversity of Polymer Structure." International Journal of Molecular Sciences 24, no. 1 (December 28, 2022): 522. http://dx.doi.org/10.3390/ijms24010522.

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A series of medium bandgap polymer donors, named poly(1-(5-(4,8-bis(5-(2-ethylhexyl)-4-fluorothiophen-2-yl)benzo [1,2-b:4,5-b′]dithiophen-2-yl)thiophen-2-yl)-5-((4,5-dihexylthiophen-2-yl)methylene)-3-(thiophen-2-yl)-4H-cyclopenta[c]thiophene-4,6(5H)-dione) (IND-T-BDTF), poly(1-(5-(4,8-bis(5-(2-ethylhexyl)-4-fluorothiophen-2-yl)benzo [1,2-b:4,5-b′]dithiophen-2-yl)-4-hexylthiophen-2-yl)-5-((4,5-dihexylthiophen-2-yl)methylene)-3-(4-hexylthiophen-2-yl)-4H-cyclopenta[c]thiophene-4,6(5H)-dione (IND-HT-BDTF), and poly(1-(5-(4,8-bis(5-(2-ethylhexyl)-4-fluorothiophen-2-yl)benzo [1,2-b:4,5-b′]dithiophen-2-yl)-6-octylthieno [3,2-b]thiophen-2-yl)-5-((4,5-dihexylthiophen-2-yl)methylene)-3-(6-octylthieno [3,2-b]thiophen-2-yl)-4H-cyclopenta[c]thiophene-4,6(5H)-dione (IND-OTT-BDTF), are developed for non-fullerene acceptors (NFAs) polymer solar cells (PSCs). Three polymers consist of donor-acceptor building block, where the electron-donating fluorinated benzodithiophene (BDTF) unit is linked to the electron-accepting 4H-cyclopenta[c]thiophene-4,6(5H)-dione (IND) derivative via thiophene (T) or thieno [3,2-b]thiopene (TT) bridges. The absorption range of the polymer donors based on IND in this study shows 400~800 nm, which complimenting the absorption of Y6BO (600~1000 nm). The PSC’s performances are also significantly impacted by the π-bridges. NFAs inverted type PSCs based on polymer donors and Y6BO acceptor are fabricated. The power conversion efficiency (PCE) of the device based on IND-OTT-BDTF reaches up to 11.69% among all polymers with a short circuit current of 26.37 mA/cm2, an open circuit voltage of 0.79 V, and a fill factor of 56.2%, respectively. This study provides fundamental information on the invention of new polymer donors for NFA-based PSCs.

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Saeki, Akinori. "(Invited) Dynamic Relaxation of Charge Carrier Mobilities in Organic Photovoltaics." ECS Meeting Abstracts MA2024-01, no. 13 (August 9, 2024): 1047. http://dx.doi.org/10.1149/ma2024-01131047mtgabs.

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A non-fullerene small molecular acceptor (NFA) is a prominent molecule that shows moderate electron mobility and a narrow bandgap complementary to middle-bandgap p-type conjugated polymers, which leads to great improvement in the performance of organic photovoltaic (OPV) cells. However, little is known about the relaxation of charge carriers, which is key to efficient charge transport. Herein, we report simultaneous time-of-flight (TOF) and time-resolved microwave conductivity (TRMC) measurements[1] employing benzodithiophene-based polymer (PBDB-T):soluble C70-fullerere (PCBM) and PBDB-T:NFA (ITIC or Y6) blends, as benchmark systems[2, 3]. In addition to the conventional TOF mobilities, relaxation of the hole and electron mobility was evaluated by TRMC under an external electric field. Although PBDB-T:ITIC exhibited much faster relaxation than PBDB-T:PCBM, the relaxation in PBDB-T:Y6 was considerably moderate. This is consistent with the energetic disorder estimated from the photoabsorption onset. Interestingly, the slower relaxation of the electrons compared to the holes in PBDB-T:Y6 is in line with the preferred normal device structure. Our work deepens the understanding of the energetics of polymer:NFA blends and offers a basis for achieving efficient NFA properties. Reference [1] Y. Shimata, A. Saeki, J. Phys. Chem. C 121 (2017) 18351. [2] F. Hamada, A. Saeki, ChemSusChem 14 (2021) 3528. [3] S. Li, F. Hamada, R. Nishikubo, A. Saeki, Sustainable Energy Fuels 6 (2022) 756.

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Jahandar, Muhammad, Jinhee Heo, Soyeon Kim, and Dong Chan Lim. "Efficient Cathode Interfacial Layer for Low-Light/Indoor Non-Fullerene Organic Photovoltaics." Nanoenergy Advances 3, no. 2 (June 20, 2023): 155–69. http://dx.doi.org/10.3390/nanoenergyadv3020009.

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Indoor organic photovoltaics (IOPVs) have attained considerable research attention as a power source for a low-power consumption self-sustainable electronic device for Internet of Things (IoT) applications. This study aims to develop an efficient cathode interfacial layer (CIL) based on a polyethyleneimine (PEIE) derivative, processed at room temperature, for the advancement of non-fullerene acceptor (NFA)-based IOPVs. Using a simple chemical reaction between polyethyleneimine and cobalt (II) chloride, we developed a 3D network-structured CIL. Through quaternary ammonium salts and chelating, metal ions act as mediators and induce metal-ion doping. An inverted device architecture with wide-bandgap and low-bandgap photo-absorber layer is utilized to understand the role of CILs under standard 1 sun and low-light or indoor light illuminations. The IOPV devices with modified CIL (Co-PEIE) having PBDB-T: IT-M and PBDB-T-2F: BTP-4F photo-absorber layers demonstrate a power conversion efficiency of 22.60% and 18.34% under 1000 lux LED lamp (2700 K) illumination conditions, respectively, whereas the IOPV devices with pristine PEIE CIL realized a poor device performance of 18.31% and 14.32% for the PBDB-T: IT-M and PBDB-T-2F: BTP-4F active layers, respectively. The poor device performance of PEIE interlayer-based IOPV under low-light conditions is the result of the significantly high leakage current and low shunt resistance that directly affect the open-circuit voltage (VOC) and fill factor (FF). Therefore, the adjustable energy barrier and notably low leakage current exhibited by the Co-PEIE CIL have a crucial impact on mitigating losses in VOC and FF when operating under low-light conditions.

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Ham, Gayoung, Damin Lee, Changwoo Park, and Hyojung Cha. "Charge Carrier Dynamics in Non-Fullerene Acceptor-Based Organic Solar Cells: Investigating the Influence of Processing Additives Using Transient Absorption Spectroscopy." Materials 16, no. 16 (August 21, 2023): 5712. http://dx.doi.org/10.3390/ma16165712.

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In this study, we present a comprehensive investigation into the charge generation mechanism in bulk-heterojunction organic solar cells employing non-fullerene acceptors (NFAs) both with and without the presence of processing additives. While photovoltaic devices based on Y6 or BTP-eC9 have shown remarkable power conversion efficiencies, the underlying charge generation mechanism in polymer:NFA blends remains poorly understood. To shed light on this, we employ transient absorption (TA) spectroscopy to elucidate the charge transfer pathway within a blend of the donor polymer PM6 and NFAs. Interestingly, the charge carrier lifetimes of neat Y6 and BTP-eC9 are comparable, both reaching up to 20 ns. However, the PM6:BTP-eC9 blend exhibits substantially higher charge carrier generation and a longer carrier lifetime compared to PM6:Y6 blend films, leading to superior performance. By comparing TA data obtained from PM6:Y6 or PM6:BTP-eC9 blend films with and without processing additives, we observe significantly enhanced charge carrier generation and prolonged charge carrier lifetimes in the presence of these additives. These findings underscore the potential of manipulating excited species as a promising avenue for further enhancing the performance of organic solar cells. Moreover, this understanding contributes to the advancement of NFA-based systems and the optimization of charge transfer processes in polymer:NFA blends.

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Wang, Xin, Zongtao Wang, Mingwei Li, Lijun Tu, Ke Wang, Dengping Xiao, Qiang Guo, et al. "A New Dibenzoquinoxalineimide-Based Wide-Bandgap Polymer Donor for Polymer Solar Cells." Polymers 14, no. 17 (August 30, 2022): 3590. http://dx.doi.org/10.3390/polym14173590.

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The molecular design of a wide-bandgap polymer donor is critical to achieve high-performance organic photovoltaic devices. Herein, a new dibenzo-fused quinoxalineimide (BPQI) is successfully synthesized as an electron-deficient building block to construct donor–acceptor (D–A)-type polymers, namely P(BPQI-BDT) and P(BPQI-BDTT), using benzodithiophene and its derivative, which bears different side chains, as the copolymerization units. These two polymers are used as a donor, and the narrow bandgap (2,20-((2Z,20Z)-((12,13-bis(2-ethylhexyl)-3,9-diundecyl-12,13-dihydro-[1,2,5]thiadiazolo [3,4-e]thieno[2,″30′:4′,50]thieno[20,30:4,5]pyrrolo[3,2g]thieno[20,30:4,5]thieno[3,2-b]indole-2,10 diyl)bis(methanylylidene))bis(5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile) Y6 is used as an acceptor to fabricate bulk heterojunction polymer solar cell devices. Y6, as a non-fullerene receptor (NFA), has excellent electrochemical and optical properties, as well as a high efficiency of over 18%. The device, based on P(BPQI-BDTT):Y6, showed power conversion efficiencies (PCEs) of 6.31% with a JSC of 17.09 mA cm−2, an open-circuit voltage (VOC) of 0.82 V, and an FF of 44.78%. This study demonstrates that dibenzo-fused quinoxalineimide is a promising building block for developing wide-bandgap polymer donors.

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Ramírez Como, Magaly, Luis Resendiz, Osbel Almora Rodríguez, and Lluis F. Marsal. "(Invited) Non-Fullerene Acceptor in Organic Solar Cells Toward Improving Performance as Indoor Light Energy Harvester." ECS Meeting Abstracts MA2024-01, no. 31 (August 9, 2024): 1530. http://dx.doi.org/10.1149/ma2024-01311530mtgabs.

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Research in organic solar cells aims to develop new materials that improve efficiency. The inception of emerging non-fullerene acceptors (NFAs) by replacing the fullerene counterpart in organic solar cells (OSCs) has pushed the bulk-heterojunction based photovoltaics to achieve efficiencies around 18% [1-6]. In order to produce efficient OSCs, it is required to have donor and acceptor materials with matching absorption bands in the Vis-NIR range, high charge-carrier mobility, and a small energy offset to minimize voltage losses. Mainly, the development of Y7 NFA molecule has improved power conversion efficiencies by pairing selected polymer donors, such as PM6 [7, 8]. Nowadays, OSCs have attracted great attention for being used as indoor light energy harvesters. The organic materials in the active layer can have tuned optical band gaps, providing an absorption spectrum that matches with emission spectra of several indoor lights, e.g., halogen lights, LED (light-emitting diodes), and FLs (fluorescent lamp), which have different emitting spectra [9, 10]. The use of OSCs for indoor light harvesting applications is promising for integration into low-power indoor electronic devices from microwatts to milliwatts, such as data transfer systems, alarm systems and distributed controls. Moreover, the OSCs have the possibility to be used with power wireless sensor nodes connected to the Internet of Things. At present, LEDs are the most popular low-light level sources which can be found in offices and homes. The intensity of the light emitted by an artificial light source, per unit area of a surface is called illuminance and measured in units of lux (lx). A level 500 lx is typically recommended for office environments and 200 lx for living room environments. In this research, we have been aiming at the performance and stability over time of organic solar cells under LED illumination using fullerene and non-fullerene acceptors. We have chosen as the indoor illumination source an LED lamp with a color temperature of 3000 K and color rendering index (CRI) > 80 following the protocols ISOS [11]. The LED lamp output illuminances were varied in the range from 200 to 1500 lx. We have used PM6 as polymer donor material due to their absorption spectrum and energy band gaps well-matched to the incident LED spectrum. In order to research the improvement of the performance of OSCs under indoor illumination we have compared PC70BM fullerene acceptor with ITIC-M, Y6-O, and Y7 non-fullerene acceptors. As a result, under 1000 lx illumination we achieved PCEs from ~ 12% using Y6-O, ~ 15% using PC70BM, ~16% using Y7 up to more than 18% efficiency using ITIC-M. The study is performed including optical and electrical characterization with the purpose of understanding the behavior and the transport processes taking place in the device. In future work, we focus on the stability of the encapsulated OSCs under continuous LED illumination following the agreed stability testing protocols to study which active layer turns out to be more stable under these conditions. Acknowledgements: This work was supported by the Ministerio de Ciencia, Innovación y Universidades (MICINN/FEDER) PDI2021-128342OB-I00, by the Agency for Management of University and Research Grants (AGAUR) ref. 2021-SGR-00739, and by the Catalan Institution for Research and Advanced Studies (ICREA) under the ICREA Academia Award. M. Ramírez-Como acknowledge to CONAHCYT ref. BPPA-20220624083033039-2364083. References [1] K. Liu, et al. Zhu, Adv. Mater. 2023, 2300363. [2] Z. Chen, et al. Energy Environ. Sci. 2023, 16(7), 3119-3127. [3] E. Moustafa, M. Méndez, J. G. Sánchez, J. Pallarès, E. Palomares, L. F. Marsal, Adv. Energy Mater. 2023, 13(4), 2203241. [4] M. Ramírez-Como, E. Moustafa, M. Samir, A. A. A. Torimtubun, J. G. Sánchez, J. Pallarès, L. F. Marsal, Sustain. Energy Fuels 2023, 7(16), 3883-3892. [5] J. G. Sánchez, V. S. Balderrama, S. I. Garduno, E. Osorio, A. Viterisi, M. Estrada, L. F. Marsal, RSC advances 2018, 8(24), 13094-13102. [6] V. S. Balderrama, J. G. Sánchez, G. Lastra, W. Cambarau, S. Arias, J. Pallarès, L. F. Marsal, Journal of Materials Chemistry A 2018, 6(45), 22534-22544. [7] A. A. A. Torimtubun, M. Méndez, E. Moustafa, J. Pallarès, E. Palomares, L. F. Marsal, Solar RRL 2023, 7(11), 2300228. [8] E. Moustafa, M. Mendez, J. Pallares, L. F. Marsal, Sol. Energy Mater. Sol. Cells 2022, 248, 111985. [9] M. Serantes-Melo, M. Ramírez-Como, L. F. Marsal, J. Pallarès. Revista Tecnología en Marcha 2023, 59. [10] M. Ramírez-Como, A. Sacramento, J. G. Sánchez, M. Estrada, J. Pallares, V. S. Balderrama, L. F. Marsal, Sol. Energy Mater. Sol. Cells 2021, 230, 111265. [11] M. O. Reese, et al., Sol. Energy Mater. Sol. Cells 2011, 95, 1253–1267.

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Saeki, Akinori. "(Invited) Machine Learning and Fast Experimental Screening-Assisted Development of Organic Solar Cell." ECS Meeting Abstracts MA2023-01, no. 14 (August 28, 2023): 1349. http://dx.doi.org/10.1149/ma2023-01141349mtgabs.

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Non-fullerene, a small molecular electron acceptor, has substantially improved the power conversion efficiency of organic photovoltaics (OPVs).[1] However, the large structural freedom of π-conjugated polymers and molecules makes it difficult to be explored with limited resources. Machine learning, which is based on the rapidly growing artificial intelligence technology, is a high-throughput method to accelerate the speed of material design and process optimization; however, it suffers from limitations in terms of prediction accuracy, interpretability, data collection, and available data (particularly, experimental data). This recognition motivates the present review, which focuses on utilizing the experimental dataset for ML to efficiently aid OPV research. The author discusses the trends in ML-OPV publications, the NFA category, and the effects of data size and explanatory variables (fingerprints or Mordred descriptors) on the prediction accuracy and explainability, which broadens the scope of ML and would be useful for the development of next-generation solar cell materials.[2] Despite the advance of ML, the predictive accuracy of ML currently remains insufficient for the design of OPV semiconductors that exhibit a complex connectivity between chemical structure and PCE. In this study, we examined the impact of data selection and the introduction of artificially generated failure data on ML predictions of NFA solar cells. The authors demonstrated that an ML model empowered by artificially generated failure data (~0% PCE by insoluble polymers based on an inappropriate choice of solubilizing side alkyl chains) led to improved predictions.[3] This approach was validated through the synthesis and characterization of twelve polymers (benzothiadiazole, thienothiophene, or tetrazine coupled with benzodithiophene; benzobisthiazole coupled with dioxo-benzodithiophene). Our work offers a facile approach to mitigate the difficulties of the ML-driven development of OPV materials that is also readily applicable to other material science fields. Reference [1] Kranthiraja, A. Saeki, Adv. Funct. Mater. 31 (2021) 2011168 [2] Miyake, A. Saeki, J. Phys. Chem. Lett. 12 (2021) 12391. [3] Miyake, K. Kranthiraja, F. Ishiwari, A. Saeki, Chem. Mater. 34 (2022) 6912.

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Imahori, Hiroshi. "Non-Fullerene Acceptors for Organic Photovoltaics." ECS Meeting Abstracts MA2023-01, no. 14 (August 28, 2023): 1345. http://dx.doi.org/10.1149/ma2023-01141345mtgabs.

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Non-fullerene acceptors (NFA) have attracted much attention in organic photovoltaics because of their excellent light-harvesting property and facile tuning of HOMO-LUMO levels. In particular, ITIC and Y6 type NFAs have exhibited very high power conversion efficiency exceeding 15%. In this talk I will give an overview of our initiatives on NFAs. [1] T. Umeyama, K. Igarashi, D. Sasada, Y. Tamai, K. Ishida, T. Koganezawa, S. Ohtani, K. Tanaka, H. Ohkita, H. Imahori, Chem. Sci., 11, 3250-3257 (2020). [2] T. Umeyama, K. Igarashi, D. Sasada, K. Ishida,T. Koganezawa, S. Ohtani, K. Tanaka, H. Imahori, ACS Appl. Mater. Interfaces, 12, 39236-39244 (2020). [3] T. Umeyama, K. Igarashi, Y. Tamai, T. Wada, T. Takeyama, D. Sasada, K. Ishida, T. Koganezawa, S. Ohtani, K. Tanaka, H. Ohkita, H. Imahori, Sus. Energy Fuels, 5, 2028-2035 (2021). [4] T. Umeyama, T. Wada, K. Igarashi, K. Kato, A. Yamakata, T. Takeyama, Y. Sakamoto, Y. Tamai, H. Ohkita, K. Ishida, T. Koganezawa, S. Ohtani, K. Tanaka, H. Imahori, ACS Appl. Energy Mater., 4, 14022-14033 (2021). [5] S. Li, R. Nishikubo, T. Wada, T. Umeyama, H. Imahori, A. Saeki, Polymer J., in press.

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Kim, Minjun, Seung Un Ryu, Sang Ah Park, Yong-Jin Pu, and Taiho Park. "Designs and understanding of small molecule-based non-fullerene acceptors for realizing commercially viable organic photovoltaics." Chemical Science 12, no. 42 (2021): 14004–23. http://dx.doi.org/10.1039/d1sc03908c.

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Lee, Youngwan, Telugu Bhim Raju, Hyerim Yeom, Peddaboodi Gopikrishna, Kwangmin Kim, Hye Won Cho, Jung Woo Moon, Jeong Ho Cho, Jin Young Kim, and BongSoo Kim. "Alkyl Chain Engineering of Low Bandgap Non-Fullerene Acceptors for High-Performance Organic Solar Cells: Branched vs. Linear Alkyl Side Chains." Polymers 14, no. 18 (September 12, 2022): 3812. http://dx.doi.org/10.3390/polym14183812.

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In this work, we report the synthesis and photovoltaic properties of IEBICO-4F, IEHICO-4F, IOICO-4F, and IDICO-4F non-fullerene acceptors (NFAs) bearing different types of alkyl chains (2-ehtylhexyl (EH), 2-ethylbutyl (EB), n-octyl (O), and n-decyl (D), respectively). These NFAs are based on the central indacenodithiophene (IDT) donor core and the same terminal group of 2-(5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile (IC-2F), albeit with different side chains appended to the thiophene bridge unit. Although the side chains induced negligible differences between the NFAs in terms of optical band gaps and molecular energy levels, they did lead to changes in their melting points and crystallinity. The NFAs with branched alkyl chains exhibited weaker intermolecular interactions and crystallinity than those with linear alkyl chains. Organic solar cells (OSCs) were fabricated by blending these NFAs with the p-type polymer PTB7-Th. The NFAs with appended branched alkyl chains (IEHICO-4F and IEBICO-4F) possessed superior photovoltaic properties than those with appended linear alkyl chains (IOICO-4F and IDICO-4F). This result can be ascribed mainly to the thin-film morphology. Furthermore, the NFA-based blend films with appended branched alkyl chains exhibited the optimal degree of aggregation and miscibility, whereas the NFA-based blend films with appended linear alkyl chains exhibited higher levels of self-aggregation and lower miscibility between the NFA molecule and the PTB7-Th polymer. We demonstrate that changing the alkyl chain on the π-bridging unit in fused-ring-based NFAs is an effective strategy for improving their photovoltaic performance in bulk heterojunction-type OSCs.

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Li, Xian’e, Qilun Zhang, Xianjie Liu, and Mats Fahlman. "Pinning energies of organic semiconductors in high-efficiency organic solar cells." Journal of Semiconductors 44, no. 3 (March 1, 2023): 032201. http://dx.doi.org/10.1088/1674-4926/44/3/032201.

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Abstract With the emergence of new materials for high-efficiency organic solar cells (OSCs), understanding and finetuning the interface energetics become increasingly important. Precise determination of the so-called pinning energies, one of the critical characteristics of the material to predict the energy level alignment (ELA) at either electrode/organic or organic/organic interfaces, are urgently needed for the new materials. Here, pinning energies of a wide variety of newly developed donors and non-fullerene acceptors (NFAs) are measured through ultraviolet photoelectron spectroscopy. The positive pinning energies of the studied donors and the negative pinning energies of NFAs are in the same energy range of 4.3−4.6 eV, which follows the design rules developed for fullerene-based OSCs. The ELA for metal/organic and inorganic/organic interfaces follows the predicted behavior for all of the materials studied. For organic–organic heterojunctions where both the donor and the NFA feature strong intramolecular charge transfer, the pinning energies often underestimate the experimentally obtained interface vacuum level shift, which has consequences for OSC device performance.

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Yamakata, Akira, Kosaku Kato, Takumi Urakami, Hirofumi Sato, Masahiro Higashi, Tomokazu Umeyama, and Hiroshi Imahori. "(Invited) Observation of Free Carriers in Non-Fullerene Acceptors with Broadband Mid-Infrared Transient Absorption Spectroscopy." ECS Meeting Abstracts MA2023-01, no. 14 (August 28, 2023): 1361. http://dx.doi.org/10.1149/ma2023-01141361mtgabs.

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Non-fullerene acceptors (NFAs) are attracting much attention as a material for efficient organic photovoltaics (OPVs). However, the photoinduced dynamics of NFAs has yet to be fully revealed. It is still questionable whether free carriers can be generated in the film consisting of the stacking of small NFA molecules. Transient absorption (TA) spectroscopy is a powerful method to investigate photoexcited states with ultrafast time resolution. TA spectroscopy in the visible and NIR region enables us to observe strongly bound photoexcitation states, but cannot detect free carriers. On the other hand, broadband MIR TA measurement makes it possible to observe free carriers. However, this is not commonly employed for the study of OPV. Herein, we investigated the photoexcited dynamics in the film of ITIC, one of the most well-known NFAs, by using MIR to visible TA measurement. In the MIR TA spectra, a peak around 3100 cm-1 and a broader component extending to lower energy region were observed. The latter broadband component got increased by blending ITIC with a donor, suggesting that this can be attributed to free carriers generated by charge separation. The observation of the vibrational frequency shift of CN group also supported the charge separation in the ITIC film. This study highlights the utility of MIR-TA spectroscopy in the study of OPVs.

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Chen, Tao, Rui Shi, Ruohua Gui, Haixia Hu, Wenqing Zhang, Kangning Zhang, Bin Cui, Hang Yin, Kun Gao, and Jianqiang Liu. "Fluorination of Terminal Groups Promoting Electron Transfer in Small Molecular Acceptors of Bulk Heterojunction Films." Molecules 27, no. 24 (December 18, 2022): 9037. http://dx.doi.org/10.3390/molecules27249037.

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The fluorination strategy is one of the most efficient and popular molecular modification methods to develop new materials for organic photovoltaic (OPV) cells. For OPV materials, it is a broad agreement that fluorination can reduce the energy level and change the morphology of active layers. To explore the effect of fluorination on small molecule acceptors, we selected two non-fullerene acceptors (NFA) based bulk heterojunction (BHJ) films, involving PM6:Y6 and PM6:Y5 as model systems. The electron mobilities of the PM6:Y5 and PM6:Y6 BHJ films are 5.76 × 10−7 cm2V−1s−1 and 5.02 × 10−5 cm2V−1s−1 from the space-charge-limited current (SCLC) measurements. Through molecular dynamics (MD) simulation, it is observed that halogen bonds can be formed between Y6 dimers, which can provide external channels for electron carrier transfer. Meanwhile, the “A-to-A” type J-aggregates are more likely to be generated between Y6 molecules, and the π–π stacking can be also enhanced, thus increasing the charge transfer rate and electron mobility between Y6 molecules.

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Cui, Yong, Huifeng Yao, Ling Hong, Tao Zhang, Yabing Tang, Baojun Lin, Kaihu Xian, et al. "Organic photovoltaic cell with 17% efficiency and superior processability." National Science Review 7, no. 7 (December 5, 2019): 1239–46. http://dx.doi.org/10.1093/nsr/nwz200.

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Abstract The development of organic photoactive materials, especially the newly emerging non-fullerene electron acceptors (NFAs), has enabled rapid progress in organic photovoltaic (OPV) cells in recent years. Although the power conversion efficiencies (PCEs) of the top-performance OPV cells have surpassed 16%, the devices are usually fabricated via a spin-coating method and are not suitable for large-area production. Here, we demonstrate that the fine-modification of the flexible side chains of NFAs can yield 17% PCE for OPV cells. More crucially, as the optimal NFA has a suitable solubility and thus a desirable morphology, the high efficiencies of spin-coated devices can be maintained when using scalable blade-coating processing technology. Our results suggest that optimization of the chemical structures of the OPV materials can improve device performance. This has great significance in larger-area production technologies that provide important scientific insights for the commercialization of OPV cells.

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Im, Chan, Sang Woong Kang, Jeong Yoon Choi, Jongdeok An, Júlia Mičová, and Zdeněk Remeš. "Spatial Balance of Photogenerated Charge Carriers in Active Layers of Polymer Solar Cells." Molecules 28, no. 15 (August 2, 2023): 5823. http://dx.doi.org/10.3390/molecules28155823.

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Bulk heterojunction polymer solar cells (PSCs) blended with non-fullerene-type acceptors (NFAs) possess good solar power conversion efficiency and compatibility with flexible electronics, rendering them good candidates for mobile photovoltaic applications. However, their internal absorption performance and mechanism are yet to be fully elucidated because of their complicated interference effect caused by their multilayer device structure. The transfer matrix method (TMM) is ideal for analyzing complex optical electric fields by considering multilayer interference effects. In this study, an active layer (AL) thickness-dependent TMM is used to obtain accurate information on the photon-capturing mechanisms of NFA-based PSCs for comparison with experimental results. Devices with AL thicknesses of 40–350 nm were prepared, and the AL-thickness-dependent device parameters with incident photon-to-current efficiency spectra were compared with the calculated internal absorption spectra of the TMM. The spectrally and spatially resolved spectra as a function of the AL thickness and excitation wavelength revealed that the power conversion efficiency of the NFA-blended PSC decreased with the increasing AL thickness after reaching a maximum of ~100 nm; by contrast, the internal absorption efficiency showed the opposite trend. Furthermore, the TMM spectra indicated that the spatial distribution of the photogenerated charge carriers became significantly imbalanced as the AL thickness increased, implying that the AL-dependent loss stemmed from the discrepancy between the absorption and the extracted charge carriers.

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Janjua, Muhammad Ramzan Saeed Ashraf. "Impact of symmetry breaking on the performance of non-fullerene acceptors (NFAs) for photo and thermally stable organic solar cells (OSCs): A DFT-based interrogation and investigation." Journal of Photochemistry and Photobiology A: Chemistry 444 (October 2023): 115003. http://dx.doi.org/10.1016/j.jphotochem.2023.115003.

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Cao, Mingwei, Lei Wang, Huan-huan Gao, Hao Jiang, and Hai Yang Song. "Intrinsic Influence of Selenium Substitution in Thiophene and Benzo-2,1,3-thiadiazole on Electronic Structure, Excited States and Photovoltaic Performances Evaluated by Theoretical Calculation." New Journal of Chemistry, 2022. http://dx.doi.org/10.1039/d2nj04490k.

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In organic solar cells (OSCs), non-fullerene acceptors (NFAs) are of great significance than the traditional fullerene-based acceptor molecules. Based on the milestone NFA Y6, five new A-D-A'-D-A type NFAs by...

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Biswas, Swarup, Yongju Lee, Hyojeong Choi, and Hyeok Kim. "Recent Developments in Non-Fullerene-Acceptor-Based Indoor Organic Solar Cells." Journal of Physics: Materials, October 10, 2023. http://dx.doi.org/10.1088/2515-7639/ad01df.

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Abstract For over a decade, donor-acceptor blends composed of organic donors and fullerene acceptors dominated indoor organic solar cells (IOSCs). Numerous researchers have invested time to conduct extensive studies on developing new donor acceptor materials, interlayers, minimizing energy losses, and enhancing the open-circuit voltage (VOC) through device and material engineering, and optimizing device architectures to achieve highly efficient, environmentally stable, and commercially acceptable IOSCs. Through such efforts, the maximum power conversion efficiencies (PCEs) of IOSCs have surpassed 30%. In this regard, the transition from a fullerene to non-fullerene acceptor (NFA) is a useful strategy for enhancing the PCEs of IOSCs by allowing adjustment of the energy levels for compatibility with the indoor light spectrum and by improving photon absorption in the visible range, thereby boosting photocurrent generation and enhancing VOC. NFA-based indoor organic photovoltaic systems have recently drawn interest from the scholarly community. To compete with the standard batteries used in the Internet of Things devices, additional research is needed to enhance several characteristics, including manufacturing costs and device longevity, which must maintain at least 80% of their initial PCEs for more than 10 years. Further development in this field can greatly benefit from a thorough and comprehensive review on this field. Hence, this review explores recent advances in IOSC systems based on NFAs. First, we explain several methods used to create extremely effective IOSCs, IOSCs based on fullerene acceptors are next reviewed and discussed. The disadvantages of using fullerene acceptors in IOSCs are noted. Then, we introduce NFAs and explore existing research on the subject. Finally, we discuss the commercial potential of NFA-based IOSCs and their future outlook.

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Lee, Wonho, Dongmin Lee, Yongchan Jang, Jeonga Kim, Sang Young Jeong, Han Young Woo, Donggu Lee, Jong Bok Kim, Youngmin Lee, and Changyeon Lee. "Impacts of Metal Oxide Diffusion and Materials Design on Thermal Stabilities of Non-Fullerene Polymer Solar Cells." Journal of Materials Chemistry A, 2023. http://dx.doi.org/10.1039/d2ta07390k.

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Non-fullerene acceptor-based polymer solar cells (NFA-PSCs) can exhibit high morphological stabilities under thermal stress, often resulting in the fabrication of thermally stable NFA-PSCs. Here, our stability study with systematic steps...

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Khatua, Rudranarayan, Bibhas Das, and Anirban Mondal. "Rational Design of Non-Fullerene Acceptors via Side-Chain and Terminal Group Engineering: A Computational Study." Physical Chemistry Chemical Physics, 2023. http://dx.doi.org/10.1039/d2cp05958d.

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We investigated the optoelectronic and photovoltaic properties of three types of acceptor-donor-acceptor-based non-fullerene acceptor (NFA) molecules for organic solar cell (OSC) applications. Density functional theory and its time-dependent variant were...

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Ji, Yiwen, Lingxia Xu, Xinyu Mu, Wenjing Wang, and Kun Gao. "Photoinduced intra- and inter-molecular charge transfer dynamics in organic small molecules with intra-molecular push-pull electronic structure." Journal of Materials Chemistry C, 2022. http://dx.doi.org/10.1039/d2tc01534j.

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As electron acceptor materials, organic small molecules with intra-molecular push-pull electronic structure have been widely used in high-efficient organic solar cells (OSCs), usually referred to as non-fullerene acceptor (NFA) molecules....

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Chen, Kaixuan, Huan Wei, Ping-An Chen, Yu Liu, Jing Guo, Jiangnan Xia, Haihong Xie, Xincan Qiu, and Yuanyuan Hu. "Band-like transport in non-fullerene acceptor semiconductor Y6." Frontiers of Optoelectronics 15, no. 1 (May 26, 2022). http://dx.doi.org/10.1007/s12200-022-00019-2.

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AbstractThe recently reported non-fullerene acceptor (NFA) Y6 has been extensively investigated for high-performance organic solar cells. However, its charge transport property and physics have not been fully studied. In this work, we acquired a deeper understanding of the charge transport in Y6 by fabricating and characterizing thin-film transistors (TFTs), and found that the electron mobility of Y6 is over 0.3–0.4 cm2/(V⋅s) in top-gate bottom-contact devices, which is at least one order of magnitude higher than that of another well-known NFA ITIC. More importantly, we observed band-like transport in Y6 spin-coated films through temperature-dependent measurements on TFTs. This is particularly amazing since such transport behavior is rarely seen in polycrystalline organic semiconductor films. Further morphology characterization and discussions indicate that the band-like transport originates from the unique molecule packing motif of Y6 and the special phase of the film. As such, this work not only demonstrates the superior charge transport property of Y6, but also suggests the great potential of developing high-mobility n-type organic semiconductors, on the basis of Y6. Graphical Abstract

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Xu, Lei, Sunsun Li, Wenchao Zhao, Yaomeng Xiong, Jinfeng Yu, Jinzhao Qin, Gang Wang, et al. "The Role of Solution Aggregation Property towards High‐Efficiency Non‐Fullerene Organic Photovoltaic Cells." Advanced Materials, April 26, 2024. http://dx.doi.org/10.1002/adma.202403476.

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AbstractIn organic photovoltaic cells, the solution‐aggregation effect (SAE) is long considered a critical factor in achieving high power‐conversion efficiencies for polymer donor (PD)/non‐fullerene acceptor (NFA) blend systems. However, the underlying mechanism has yet to be fully understood. Herein, based on an extensive study of blends consisting of the representative 2D‐benzodithiophene‐based PDs and acceptor‐donor‐acceptor‐type NFAs, we demonstrate that SAE shows a strong correlation with the aggregation kinetics during solidification, and the aggregation competition between PD and NFA determines the phase separation of blend film and thus the photovoltaic performance. PDs with strong SAEs enable earlier aggregation evolutions than NFAs, resulting in well‐known polymer‐templated fibrillar network structures and superior PCEs. With the weakening of PDs’ aggregation effects, NFAs, showing stronger tendencies to aggregate, tend to form oversized domains, leading to significantly reduced external quantum efficiencies and fill factors. These trends reveal the importance of matching SAE between PD and NFA. We further evaluate the aggregation abilities of various materials and provide the aggregation ability/photovoltaic parameter diagrams of 64 PD/NFA combinations. Our work proposes a guiding criteria and facile approach to match efficient PD/NFA systems.This article is protected by copyright. All rights reserved

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Padula, Daniele, Alessandro Landi, and Giacomo Prampolini. "Assessing alkyl side chain effects on electron transport properties of Y6–derived non–fullerene acceptors." Energy Advances, 2023. http://dx.doi.org/10.1039/d3ya00149k.

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Recent non-fullerene acceptor (NFA) advancements have propelled organic photovoltaics efficiency to ≈ 20% in single junction solar cells, thanks to the introduction of the very promising L8-R series, obtained by...

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Suthar, Rakesh, T. Abhijith, and Supravat Karak. "Machine-Learning-Guided Prediction of Photovoltaic Performance for Non-fullerene Organic Solar Cells using Novel Molecular and Structural Descriptors." Journal of Materials Chemistry A, 2023. http://dx.doi.org/10.1039/d3ta04603f.

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Recent development of novel conjugated polymer donor and non-fullerene acceptor (NFA) materials with promising properties have led to an unprecedented rise in the power conversion efficiency (PCE) of organic solar...

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Pranav, Manasi, Atul Shukla, David Moser, Julia Rumeney, Wenlan Liu, Rong Wang, Bowen Sun, et al. "On the critical competition between singlet exciton decay and free charge generation in non-fullerene-based organic solar cells with low energetic offset." Energy & Environmental Science, 2024. http://dx.doi.org/10.1039/d4ee01409j.

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Reducing voltage losses while maintaining high photocurrents is the holy grail of current research on non-fullerene acceptor (NFA) based organic solar cell. Recent focus lies in understanding the manifold fundamental...

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Manikandan, Suraj, and Jens Wenzel Andreasen. "Integration of Photovoltaic Organic Materials into mm-Wave Technologies: Towards Self-Powered Phase Shifters." Journal of Materials Chemistry C, 2024. http://dx.doi.org/10.1039/d4tc02828g.

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This paper introduces a Ka-band phase shifter that leverages a blend of the donor polymer PM6 and non-fullerene acceptor (NFA) Y7 organic materials. The design integrates a coplanar waveguide (CPW)...

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Peng, Jing, Lijiao Ma, Huixue Li, Guanlin Wang, Zhihao Chen, Feiwu Chen, Jianhui Hou, and Shaoqing Zhang. "A Comprehensive Study on the Halogenation Effect of Non-Fullerene Acceptors for Photovoltaic Application." Materials Chemistry Frontiers, 2024. http://dx.doi.org/10.1039/d4qm00648h.

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In this study, four non-fullerene acceptor (NFA) materials, namely ITC9-4F, ITC9-4Cl, ITC9-4Br, and ITC9-4I, were designed and synthesized by introducing 4F, 4Cl, 4Br, and 4I substituents within their end groups,...

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Tang, Yabing, Hong Zheng, Xiaobo Zhou, Zheng Tang, Wei Ma, and Han Yan. "N-Dopants Optimize the Utilization of Spontaneously Formed Photocharges in Organic Solar Cells." Energy & Environmental Science, 2023. http://dx.doi.org/10.1039/d2ee03612f.

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The non-fullerene acceptor (NFA) not only brings rapid efficiency progress to organic solar cell (OSC), but also arouses scientific interest in re-evaluating the photocharge generation route via spontaneous or heterojunction-assisted...

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45

Giannini, Samuele, Jesús Cerdá, Giacomo Prampolini, Fabrizio Santoro, and David Beljonne. "Dissecting the nature and dynamics of electronic excitations in a solid-state aggregate of a representative non-fullerene acceptor." Journal of Materials Chemistry C, 2024. http://dx.doi.org/10.1039/d4tc01716a.

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Understanding electronic excitations and their dynamics in non-fullerene acceptor (NFA) materials is crucial for improving the efficiency of opto-electronic devices. In this study, we use a Frenkel-exciton Hamiltonian, which couples...

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Yang, Yezi, Chuang Yao, Lei Li, Maolin Bo, Meng He, and Jinshan Wang. "Isomerization of two-dimensional non-fullerene electron acceptor materials for developing high-performance organic solar cells." Journal of Materials Chemistry C, 2022. http://dx.doi.org/10.1039/d2tc02373c.

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Three isomeric 2D NFA materials were constructed by one 2D core and four end groups, which implies that the isomerism of conjugated backbone is also an efficient method to turn the optoelectronic properties of NFA materials.

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Gao, Xiang, Fengbo Sun, Xinzhu Tong, Xufan Zheng, Yinuo Wang, Cong Xiao, Pengcheng Li, Renqiang Yang, Xunchang Wang, and Zhitian Liu. "Efficient soluble PTCBI-type non-fullerene acceptor materials for organic solar cells." Frontiers of Optoelectronics 16, no. 1 (April 23, 2023). http://dx.doi.org/10.1007/s12200-023-00063-6.

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AbstractSingle perylene diimide (PDI) used as a non-fullerene acceptor (NFA) in organic solar cells (OSCs) is enticing because of its low cost and excellent stability. To improve the photovoltaic performance, it is vital to narrow the bandgap and regulate the stacking behavior. To address this challenge, we synthesize soluble perylenetetracarboxylic bisbenzimidazole (PTCBI) molecules with a bulky side chain at the bay region, by replacing the widely used “swallow tail” type alkyl chains at the imide position of PDI molecules with a planar benzimidazole structure. Compared with PDI molecules, PTCBI molecules exhibit red-shifted UV–vis absorption spectra with larger extinction coefficient, and one magnitude higher electron mobility. Finally, OSCs based on one soluble PTCBI-type NFA, namely MAS-7, exhibit a champion power conversion efficiency (PCE) of 4.34%, which is significantly higher than that of the corresponding PDI-based OSCs and is the highest PCE of PTCBI-based OSCs reported. These results highlight the potential of soluble PTCBI derivatives as NFAs in OSCs. Graphical abstract

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Sharma, Ganesh D., A. R. Khokhlov, M. L. Keshtov, D. Y. Shikin, D. Y. Godovsky, V. N. Sergeev, J. Liu, D. P. Kalinkin, V. G. Alekseev, and Shyam Shankar S. "Non‐fused nonfullerene acceptors with asymmetric benzo[1,2‐b:3,4‐b', 6,5‐b"]trithiophene (BTT) central donor core and different acceptor terminal units for organic solar cells." Chemistry – A European Journal, October 7, 2024. http://dx.doi.org/10.1002/chem.202403193.

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Here in, we have designed two new unfused non‐fullerene small molecules based on asymmetric benzo[1,2‐b:3.4‐b', 6,5‐b"]trithiophene (BTT) central donor core and different terminal units, i.e. 2‐(3‐oxo‐2,3‐dihydro‐1H‐inden‐1‐ylidene)malononitrile (NFA‐4) and 1,3‐diethyl‐2‐thioxodi hydropyrimidine‐4,6(1H,5H)‐dione (NFA‐5) and their optical and electrochemical properties were investigated. Employing a wide band‐gap copolymer D18, the binary D18: NFA‐4 and D18:NFA‐5 bulk heterojunction‐based organic solar cells realized an overall power conversion efficiency of about 17.07% and 11.27 %, respectively. The higher value of power conversion efficiency for the NFA‐4‐based organic solar cells, as compared to the NFA‐5 counterpart, is attributed to the enhanced values of short circuit current, open circuit voltage, and fill factor. After the incorporation of NFA‐5 into the binary bulk heterojunction D18:NFA‐4, the ternary organic solar cells attained a power conversion efficiency of 18.05 %, which is higher than that for the binary counterparts and attributed to the increased values of short circuit current, fill factor, and open circuit voltage. The increased value of short circuit current is associated with the effective utilization of excitons through the energy transfer from the NFA‐5 to NFA‐4 as the NFA‐4 exhibits a more significant dipole moment than the NFA‐5 and is effectively dissociated into a free charge carrier.

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Zhugayevych, Andriy, Kun-Han Lin, and Denis Andrienko. "Electronic coarse-graining of long conjugated molecules: Case study of non-fullerene acceptors." Journal of Chemical Physics 159, no. 2 (July 10, 2023). http://dx.doi.org/10.1063/5.0155488.

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By considering only one electronic state per molecule, charge transport models of molecular solids neglect intramolecular charge transfer. This approximation excludes materials with quasi-degenerate spatially separated frontier orbitals, such as non-fullerene acceptors (NFAs) and symmetric thermally activated delayed fluorescence emitters. By analyzing the electronic structure of room-temperature molecular conformers of a prototypical NFA, ITIC-4F, we conclude that the electron is localized on one of the two acceptor blocks with the mean intramolecular transfer integral of 120 meV, which is comparable with intermolecular couplings. Therefore, the minimal basis for acceptor–donor–acceptor (A–D–A) molecules consists of two molecular orbitals localized on the acceptor blocks. This basis is robust even with respect to geometry distortions in an amorphous solid, in contrast to the basis of two lowest unoccupied canonical molecular orbitals withstanding only thermal fluctuations in a crystal. The charge carrier mobility can be underestimated by a factor of two when using single site approximation for A–D–A molecules in their typical crystalline packings.

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Tang, Yahui, Wen Liang Tan, Zhuping Fei, Martin Heeney, and Christopher R. McNeill. "Different Energetics at Donor:Acceptor Interfaces in Bilayer and Bulk‐Heterojunction Polymer:Non‐fullerene Organic Solar Cells." Solar RRL, August 13, 2023. http://dx.doi.org/10.1002/solr.202300471.

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To understand the limitations placed on the open circuit voltage of bulk heterojunction (BHJ) organic solar cells, the energy levels of neat donor and acceptor samples are often characterized and applied to study BHJ blends. However, energy levels derived from neat samples may not necessarily reflect those at the donor:acceptor interface in blends. The properties of organic semiconductors are sensitive to microstructural changes, with non‐fullerene acceptors (NFAs) in particular known to exhibit different thin film polymorphs. To investigate the influence of differences in molecular packing in neat and blend films, temperature‐dependent current‐voltage characteristics have been measured for bilayer and BHJ devices. We compare the fullerene acceptor PC71BM – whose energy levels are expected to be less sensitive to molecular packing – with the NFA ITIC, paired with the same donor polymer PTB7‐Th. It is found that the interfacial energy levels differ for bilayer and BHJ devices for the PTB7‐Th:ITIC system but remain the same for the PTB7‐Th:PC71BM system. Furthermore, X‐ray scattering measurements identify that ITIC exhibits a different packing mode in neat films and in BHJ blends. Such microstructure‐dependent differences between neat and blend samples need to be considered when studying energy losses in NFA BHJ solar cells.This article is protected by copyright. All rights reserved.

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Journal articles on the topic 'Non-fullerene acceptor (NFA)'

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