Yuhao Ni, Yiyang Wang, Tianyuan Xu, Xihang Xu, Minghao Lu, Xin Ji, Lu Liu
{"title":"Facile Assembly of Functionalizable Conjugated Dienes via Skeletal Editing of Alkynyl Diazoketones Enabled by a Traceless 2-Pyridyloxy Group","authors":"Yuhao Ni, Yiyang Wang, Tianyuan Xu, Xihang Xu, Minghao Lu, Xin Ji, Lu Liu","doi":"10.1002/cjoc.70755","DOIUrl":"https://doi.org/10.1002/cjoc.70755","url":null,"abstract":"<div>\u0000 \u0000 <p>Herein, we report an efficient and practical strategy for the facile assembly of functionalizable conjugated dienes through skeletal editing of alkynyl diazoketones enabled by a traceless 2-pyridyloxy group. Conjugated dienes are important structural motifs and versatile synthetic building blocks, yet the stereodefined preparation of highly substituted dienes bearing a readily transformable functional handle remains challenging. In this protocol, alkynyl diazoketones react with 2-pyridone-derived <i>N,N-</i>acetals under mild Lewis-acid-promoted conditions to furnish polysubstituted conjugated dienes with useful chemo-, regio-, and stereoselectivity. The readily available 2-pyridyloxy moiety plays a dual role: it facilitates the multiple rearrangement sequence and remains in the products as a versatile handle for further diversification. The reaction exhibits broad substrate scope, tolerating alkynyl diazoketones bearing electron-donating and electron-withdrawing aryl substituents, heteroaryl and alkyl groups, and terminal alkynes, as well as <i>N,N-</i>acetals derived from substituted pyridones, pyrimidines, and various secondary amines. In addition, a convenient one-pot three-component protocol can be performed directly from an acetal amine, 2-pyridinone, and an alkynyl diazoketone without isolation of the intermediate <i>N,N-</i>acetal. The synthetic practicality of the method is further demonstrated by gram-scale preparation and diverse downstream transformations of the resulting dienes. In particular, the 2-pyridyloxy group can be replaced by sulfur, aryl, and alkenyl substituents through substitution or cross-coupling reactions, can enable installation of a complex cholesterol-derived fragment, and can also be removed reductively. The structure of representative product <b>3a</b> was confirmed by single-crystal X-ray diffraction, supporting the proposed connectivity and nitrogen-initiated reaction pathway. Mechanistically, the transformation is proposed to proceed through Wolff rearrangement of the alkynyl diazoketone to an alkynyl ketene, nitrogen-initiated nucleophilic addition of the <i>N,N-</i>acetal, subsequent 1,5-migration to an allenamide intermediate, and a final [3,3]-sigmatropic rearrangement to generate the conjugated diene framework. Overall, this strategy provides a modular, scalable, and practical platform for accessing structurally diverse and readily functionalizable conjugated dienes.</p>\u0000 <p></p>\u0000 </div>","PeriodicalId":151,"journal":{"name":"Chinese Journal of Chemistry","volume":"44 22","pages":"3614-3620"},"PeriodicalIF":5.7,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Regulating Film-Formation Kinetics via Tetraphenylethylene Functionalization for Efficient Organic Solar Cells","authors":"Weisi He, Zhibo Wang, Tongzi Li, Junyin Dong, Jue Guan, Haonan Han, Jiaying Wu, Huawei Hu","doi":"10.1002/cjoc.70748","DOIUrl":"https://doi.org/10.1002/cjoc.70748","url":null,"abstract":"<div>\u0000 \u0000 <p>Controlling film-formation kinetics remains a central challenge for optimizing morphology evolution and charge-generation processes in organic solar cells (OSCs). Herein, we develop a facile molecular engineering strategy to regulate film-formation kinetics through tetraphenylethylene (TPE) functionalization and design a new non-fullerene acceptor, BTP2F-TPE. The incorporation of bulky TPE units introduces pronounced steric hindrance, effectively suppressing excessive molecular aggregation and modulating intermolecular interactions during film formation. As a result, the D18:BTP2F-TPE blend exhibits a substantially higher solution-to-film transition rate (5.00 s<sup>-1</sup>) than the D18:L8-BO counterpart (3.33 s<sup>-1</sup>), leading to a more favorable phase-separated morphology. When incorporated as a third component into D18:L8-BO, BTP2F-TPE enables the ternary blend to achieve enhanced exciton dissociation, more efficient charge collection, and reduced non-radiative energy loss (0.210 eV). Consequently, the ternary device delivers a power conversion efficiency of 20.28%, with an open-circuit voltage of 0.907 V, a short-circuit current density of 27.72 mA·cm<sup>−2</sup>, and a fill factor of 80.62%. Femtosecond transient absorption spectroscopy reveals accelerated hole transfer at the donor–acceptor interface, supporting the improved charge-generation dynamics observed in the ternary system. This work demonstrates that manipulating film-formation kinetics through steric side-chain engineering represents an effective strategy for optimizing active-layer morphology and advancing high-performance organic photovoltaics.</p>\u0000 <p></p>\u0000 </div>","PeriodicalId":151,"journal":{"name":"Chinese Journal of Chemistry","volume":"44 22","pages":"3591-3598"},"PeriodicalIF":5.7,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Challenges and Recent Advances in O-Sulfation","authors":"Zhongyao Ye, Chunlan Song, Jiakun Li","doi":"10.1002/cjoc.70719","DOIUrl":"https://doi.org/10.1002/cjoc.70719","url":null,"abstract":"<div>\u0000 \u0000 <section>\u0000 \u0000 <h3> Comprehensive Summary</h3>\u0000 \u0000 <p><i>O</i>-Sulfation is a critical biochemical modification that involves the covalent attachment of a sulfuryl group to hydroxyl groups, functioning as a key regulator in protein activity, glycan function, and metabolic detoxification. In biological systems, this modification is catalyzed by sulfotransferases using 3'-phosphoadenosine-5'-phosphosulfate (PAPS) as the sulfuryl donor, thereby profoundly influencing the structure, function, and biological activity of diverse biomacromolecules. However, the chemical synthesis of organic sulfates faces considerable challenges, including poor stability, limited solubility in organic solvents, and difficulties in regioselective sulfation. Over the past decades, significant progress has been made in the development of sulfating reagents and synthetic strategies. In this review, we comprehensively summarize the development of <i>O</i>-sulfation methodologies focusing on three main aspects: (1) chemical sulfation using various reagents, including strong sulfur-containing acids, sulfur trioxide amine/amide complexes, and sulfate diesters; (2) regioselective sulfation for selective modification of specific hydroxyl groups; and (3) chemoenzymatic strategies that combine chemical synthesis with enzymatic catalysis using PAPS as sulfuryl donor for the efficient and precise construction of functional sulfated molecules. The current challenges and future opportunities are also discussed.</p>\u0000 \u0000 <p>\u0000 </p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Key Scientists</h3>\u0000 \u0000 <p>Efforts toward the development of sulfating reagents date back to 1926, when Baumgarten reported the first synthesis of SO₃·Py and used it for the <i>O</i>-sulfation of ethanol. In the following decades, Newman pioneered <i>O-</i>sulfation with concentrated H₂SO₄ in 1950, and Mumma reported DCC-mediated <i>O</i>-sulfation of alcohols with H₂SO₄ in 1966. Turning to sulfation strategies, in 1981, Penny introduced the first protection/deprotection strategy using phenyl chlorosulfate to access masked sulfate diesters. In 2016, Yu demonstrated microwave-assisted <i>O</i>,<i>N</i>-sulfation of HP and HS-like saccharides, achieving rapid and complete sulfation. This strategy was extended by Cao (2019) to complex <i>O</i>-mannose glycans bearing the HNK-1 epitope. In 2020, Niu established <i>O</i>-sulfation via sulfur(VI) fluoride exchange (SuFEx), offering a scalable and mild protection/deprotection platform. In 2025, Li developed late-stage <i>O</i>-sulfation using PNPS as a bioinspired sulfuryl donor, achieving tunable chemoselectivity. In the realm of chemical biology, significant progress has also been made. In 2000, Wong achieved tyrosine sulfation on P-selectin glycoprotein ligand-1, revealing the modulatory role of sulfation in glycos","PeriodicalId":151,"journal":{"name":"Chinese Journal of Chemistry","volume":"44 22","pages":"3673-3692"},"PeriodicalIF":5.7,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Scalable Fabrication of Low-Cost, High-Stability Copper(I) Halide Hybrid Scintillator for High-Performance Flexible X-Ray Imaging","authors":"Shifeng Pan, Yuansheng Wang, Haibo Li, Ziyang Zhou, Zhennan Zhou, Wei Liu, Gangfeng Ouyang","doi":"10.1002/cjoc.70744","DOIUrl":"https://doi.org/10.1002/cjoc.70744","url":null,"abstract":"<div>\u0000 \u0000 <p>Traditional inorganic single-crystal scintillators face several adverse conditions, such as high cost, complex process and poor flexibility. To avoid these shortcomings, in this work, the low-cost benzyl bromide is used to efficiently synthesize the 0D organic-inorganic hybrid copper(I) halide compound Cu<sub>5</sub>I<sub>4</sub>Br<sub>3</sub>(bz-ted)<sub>2</sub> (Compound <b>Y</b>) by the room-temperature solution method. The yields of the ligand (95%) and the scintillator (97%) are nearly 100%, and a single-batch production of 10.29 g is achieved, while the cost of the ligand raw material is drastically reduced. This material has an “all-in-one” (AIO) structure, with intramolecular π···π stacking interaction and Cu···Cu cuprophilic interactions together enhancing structural rigidity, resulting in its remarkable thermal, air, and light stability. Notably, Compound <b>Y</b> exhibits excellent yellow light-emitting properties with an outstanding photoluminescent quantum yield (PLQY = 90.66%) and an ultrahigh external quantum efficiency (EQY = 81.59%), which is investigated to be the emission from the self-trapped excitons (STEs). Moreover, it has favorable scintillation properties, with a low detection limit of 2.426 μGy<sub>air</sub>·s<sup>−1</sup> and a satisfactory spatial resolution of 17.7 lp·mm<sup>−1</sup>. When blended with styrene-ethylene-butene-styrene (SEBS) to fabricate the flexible scintillation screen, it can withstand 200% stretching and 0°–90° bending, with no halo distortion in imaging. This work not only promotes the commercial application of AIO-structured materials, but also provides a new approach for the large-scale fabrication of low-cost and high-performance flexible X-ray scintillators.</p>\u0000 <p></p>\u0000 </div>","PeriodicalId":151,"journal":{"name":"Chinese Journal of Chemistry","volume":"44 22","pages":"3637-3646"},"PeriodicalIF":5.7,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177617","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Recent Advances in Boryl Radical Chemistry: The Rise of Visible-Light-Mediated Lewis Base-Coordinated Borane Chemistry","authors":"Yu-Qi Miao, Xuenian Chen","doi":"10.1002/cjoc.70671","DOIUrl":"https://doi.org/10.1002/cjoc.70671","url":null,"abstract":"<div>\u0000 \u0000 <section>\u0000 \u0000 <h3> Comprehensive Summary</h3>\u0000 \u0000 <p>Lewis base-coordinated borane is air-stable, easy to handle, and employed as a boryl radical precursor under both thermal and photochemical conditions. Over the past few decades, the traditional ionic hydroboration method has been complemented by significant developments in radical-based hydroboration protocols, enabling the synthesis of diverse, value-added organoboron compounds. In this review, we have endeavored to present the state of the art in visible-light-driven Lewis base-coordinated boryl radical-promoted hydroboration, borylation, and XAT (X = halogen, H, CN) reactions, with a discussion covering reaction types, mechanisms, trends, and the distinctions between photo-induced and thermal-induced processes. The review presents a comprehensive overview of this theme, which has sparked significant research interest.</p>\u0000 \u0000 <p></p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Key Scientists</h3>\u0000 \u0000 <p></p>\u0000 </section>\u0000 </div>","PeriodicalId":151,"journal":{"name":"Chinese Journal of Chemistry","volume":"44 22","pages":"3693-3720"},"PeriodicalIF":5.7,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149176904","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shanhong Yang, Sifan He, Xingfei Wu, Yao Zhou, Shengzhou Jin, Guodong Yin, Dunjia Wang
{"title":"Pd-Catalyzed S-to-N Atom Swap of Benzodithiol-3-ones Enabled by Nitrene","authors":"Shanhong Yang, Sifan He, Xingfei Wu, Yao Zhou, Shengzhou Jin, Guodong Yin, Dunjia Wang","doi":"10.1002/cjoc.70758","DOIUrl":"https://doi.org/10.1002/cjoc.70758","url":null,"abstract":"<div>\u0000 \u0000 <p>An unprecedented nitrene-induced skeletal editing of benzodithiol-3-ones is demonstrated herein, which constitutes the first example of S-to-N atom swap of benzodithiol-3-ones. The Pd/C catalyst demonstrated outstanding catalytic performance in this transformation by utilizing azides as the nitrene precursors to enable efficient desulfurization and nitrogen insertion of benzodithiol-3-ones. The proposed reaction mechanism for this Pd-catalyzed skeletal remodeling of benzodithiol-3-ones is further supported by density functional theory (DFT) calculations. The current Pd-catalyzed S-to-N atom exchange reaction proceeds under mild conditions with operational simplicity, eliminating the need for inert gas protection, which endows the streamline assembly of diverse benzo[<i>d</i>]isothiazol-3(2<i>H</i>)- ones with excellent functional group compatibility in decent yields. Moreover, this nitrene-induced skeletal editing strategy is amenable to late-stage functionalization of complex azides, thereby facilitating access to benzo[<i>d</i>]isothiazol-3(2<i>H</i>)-ones decorated with pharmacologically relevant scaffolds.</p>\u0000 <p></p>\u0000 </div>","PeriodicalId":151,"journal":{"name":"Chinese Journal of Chemistry","volume":"44 22","pages":"3621-3628"},"PeriodicalIF":5.7,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"NBS-Mediated Mitsunobu Glycosylation: Facile Assembly of N-Glycosides from Unprotected Sugars and Application to Polysaccharide Analysis","authors":"Xue Zhou, Ying Deng, Bin Wang, Xin-Shan Ye","doi":"10.1002/cjoc.70761","DOIUrl":"https://doi.org/10.1002/cjoc.70761","url":null,"abstract":"<div>\u0000 \u0000 <p>Chemical <i>N</i>-glycosylation is a crucial step in the synthesis of complex <i>N</i>-glycosides, particularly nucleosides. However, traditional carbohydrate chemistry often relies heavily on protecting groups, which can lead to cumbersome, time-consuming substrate preparation. Herein, we present a protecting-group-free glycosylation strategy that utilizes unprotected sugars as glycosyl donors through an <i>N</i>-bromosuccinimide (NBS)-mediated Mitsunobu reaction. This protocol features elimination of protection-deprotection manipulations, a broad substrate scope (compatible with a variety of unprotected monosaccharides, including ribose, arabinose, mannose, fructose, rhamnose, lyxose, xylose, galactose, glucose, and fucose), and excellent 1,2<i>-trans</i>-stereoselectivity. Importantly, this method has been successfully used for monosaccharide composition analysis of polysaccharides in traditional Chinese medicine (TCM).</p>\u0000 <p></p>\u0000 </div>","PeriodicalId":151,"journal":{"name":"Chinese Journal of Chemistry","volume":"44 22","pages":"3657-3662"},"PeriodicalIF":5.7,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177615","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Linwei He, Lingyi Li, Zhonglin Ma, Long Chen, Shuao Wang
{"title":"Metal-Organic Frameworks for Precise Separation of Radionuclides: Our Journey and Perspective","authors":"Linwei He, Lingyi Li, Zhonglin Ma, Long Chen, Shuao Wang","doi":"10.1002/cjoc.70725","DOIUrl":"https://doi.org/10.1002/cjoc.70725","url":null,"abstract":"<div>\u0000 \u0000 <section>\u0000 \u0000 <h3> Comprehensive Summary</h3>\u0000 \u0000 <p>The efficient separation of radionuclides is essential for sustainable nuclear energy and nuclear environmental safety. Conventional adsorbents exhibit limited selectivity and removal efficiency due to the lack of specific recognition sites for target radionuclides. Over the past decade, our group has developed a series of metal-organic framework (MOF)-based adsorbents based on the principle of “precise recognition of radionuclides”. For cationic radionuclides, we engineered geometrically matched binding sites for chelation, electrostatic interactions, and photocatalytic reduction. For anionic radionuclides characterized by poor coordination and high mobility, relatively hydrophobic MOFs were constructed that exploit ion exchange and hydrogen bonding. For gaseous radionuclides, heavy atoms or reactive sites and kinetically favorable diffusion pathways were introduced to achieve precise recognition and efficient removal within the confined spaces of MOFs. This review mainly summarizes the progress in radionuclide remediation based on these strategies.</p>\u0000 \u0000 <p>\u0000 </p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Key Scientists</h3>\u0000 \u0000 <p>\u0000 </p>\u0000 </section>\u0000 </div>","PeriodicalId":151,"journal":{"name":"Chinese Journal of Chemistry","volume":"44 22","pages":"3721-3735"},"PeriodicalIF":5.7,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177698","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Solution-Processed Semi-Transparent Organic Photovoltaics Achieving 5% Light Utilization Efficiency through Synergistic Active Layer and Electrode Design†","authors":"Shaoming Sun, Baijiang Wu, Zhipeng Yu, Liqing Xiao, Weiming Qiu, Zhixi Liu, Hongzheng Chen","doi":"10.1002/cjoc.70788","DOIUrl":"https://doi.org/10.1002/cjoc.70788","url":null,"abstract":"<div>\u0000 \u0000 <p>Semi-transparent organic photovoltaics (ST-OPVs) suffer from an inherent trade-off between power conversion efficiency (PCE) and average visible transmittance (AVT). Here, we report a synergistic solution-processed strategy that concurrently optimizes the active layer composition and transparent electrode architecture to achieve a record solution-processed light utilization efficiency (LUE). Reducing the donor content in bulk heterojunctions represents an effective strategy to enhance the AVT, yet inevitably incurs severe efficiency penalties arising from disrupted charge transport and enhanced recombination. By incorporating a <i>tert</i>-butyl-functionalized 4-PACz derivative (tB-4P) into a donor-diluted bulk heterojunction, we suppress trap-assisted recombination and rebalance charge transport, recovering both the fill factor and short-circuit current density. Complementarily, a sandwich-structured ZnO/AgNW/ZnO composite electrode—employing optimized long aspect-ratio silver nanowires—is integrated with a solution-processed PMMA optical coupling layer and an anti-reflection coating to enhance photon harvesting and transparency. The resulting donor-diluted ST-OPV device delivers a PCE of 10.41% and an AVT of 48.0%, yielding a record LUE of 5.00% among solution-processed ST-OPVs reported to date. This work establishes a scalable pathway toward high-performance photovoltaic windows and building-integrated photovoltaics.</p>\u0000 <p></p>\u0000 </div>","PeriodicalId":151,"journal":{"name":"Chinese Journal of Chemistry","volume":"44 22","pages":"3663-3672"},"PeriodicalIF":5.7,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Shamrock-Shaped Non-fullerene Acceptors with Asymmetric End Groups Enable High-Voltage and High-Performance Organic Solar Cells","authors":"Sheng Ge, Xingchen Zhang, Zongtao Wang, Xue lai, Feng He, Lixian Sun, Junjie Fu, Ailing Tang, Mengzhen Du, Jia Yao, Tingting Dai, Xin Liu, Yu Qi, Yunhao Hou, Jiawei Ru, Qing Guo, Erjun Zhou","doi":"10.1002/cjoc.70747","DOIUrl":"https://doi.org/10.1002/cjoc.70747","url":null,"abstract":"<div>\u0000 \u0000 <p>Acenaphtho[1,2-<i>b</i>]quinoxaline imide (AQI)-based shamrock-shaped non-fullerene acceptors (NFAs) have garnered significant attention in the field of organic solar cells (OSCs) due to their high open-circuit voltage (<i>V</i><sub>OC</sub>) exceeding 0.95 V. Improving the short-circuit current density (<i>J</i><sub>SC</sub>) and fill factor (FF), while maintaining a high <i>V</i><sub>OC</sub>, remains a pivotal challenge for this kind of emerging materials. Herein, three A'–DAD–A” type NFAs with asymmetric end-group architecture, AQI13, AQI13-b, and AQI13-c, were developed, where IC-2F was used as A' unit, and IC-1F, NC-1F and NC-2F were utilized as A” units, respectively. The intermolecular packing mode is regulated through this end-group modification strategy, thereby improving the <i>J</i><sub>SC</sub> and FF. Meanwhile, a balance in the trade-off relationship between <i>J</i><sub>SC</sub> and <i>V</i><sub>OC</sub> was established by modulating the intramolecular charge transfer (ICT) effect through asymmetric design. Consequently, the D18/AQI13, D18/AQI13-b and D18/AQI13-c layer-by-layer (LBL) devices demonstrate high PCEs of 17.78%, 17.95% and 19.07% with high <i>V</i><sub>OC</sub> of 0.986 V, 0.973 V and 0.958 V, respectively. In addition, D18:L8-BO:AQI13-c-based ternary OSCs realized an improved PCE of 20.20% in comparison with the binary device (PCE = 19.37%). This work offers a viable strategy for designing shamrock-shaped NFAs for high-voltage and high-performance binary and ternary OSCs.</p>\u0000 <p></p>\u0000 </div>","PeriodicalId":151,"journal":{"name":"Chinese Journal of Chemistry","volume":"44 22","pages":"3571-3580"},"PeriodicalIF":5.7,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177564","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}