Reducing energy loss by developing luminescent triphenylamine functionalized electron acceptor for high performance organic solar cells

Yue Chen, Xiaopeng Duan, Junjie Zhang, Zhongwei Ge, Haisheng Ma, Xiaobo Sun, Huotian Zhang, Jiaxin Gao, Xuelin Wang, Xunchang Wang, Zheng Tang, Renqiang Yang, Feng Gao and Yanming Sun

Energy Environ. Sci., 2025, 18, 6214
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Multiscale computational analysis of the effect of end group modification on PM6:BTP-x OSCs performance

Qingxing Wu, Chongchen Xiang, Guangjun Zhang, Yingping Zou and Wanqiang Liu

J. Mater. Chem. C, 2024, 12, 13311
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Molecular engineering and structure–property relationship based on D–A chlorophyll derivative and the application in organic solar cells

Kaiyan Zhang, Ting Li, Peng Song, Fengcai Ma and Yuanzuo Li

Phys. Chem. Chem. Phys., 2024, 26, 25607
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Unveiling additive effects on molecular packing and charge transfer in organic solar cells: an AIMD and DFT study

Xiang Li, Qingxing Wu, Qiuhua Liu, Zaichun Zhou, Guangjun Zhang and Wanqiang Liu

Phys. Chem. Chem. Phys., 2025
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Immobilizing active layer via crosslinking for improved efficiency and stability in organic solar cells

Yu-xia Gong, Shu-fang Li, Yan-yi Zhong, Jiang-bin Zhang, Kai Han, Wei-li Li, Jun Yuan, Han-yu Cheng, Yun-fan Yang, Yun-gui Li, Li-hui Jiang and Ying-ping Zou

Materials Today Chemistry, 2025, 45, 102660
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Comparative Study of the Optical and Electronic Properties of Y6 Derivatives: A Theoretical Study

Xiao-Xue Zhang, Xue-Fang Yu and Bo Xiao

J. Phys. Chem. A, 2023, 127, 9291
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Machine Learning Identifies Strong Electronic Contacts in Semiconducting Polymer Melts

Puja Agarwala, Shane Donaher, Baskar Ganapathysubramanian, Enrique D. Gomez and Scott T. Milner

Macromolecules, 2023, 56, 5698
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Interconnected Morphological and Electronic Structure Properties of the PBDB-T-2F (PM6) Electron Donor in Bulk Organic Semiconductors

Ling Jiang, Jonathan D. Hirst and Hainam Do

ACS Appl. Energy Mater., 2025, 8, 11342
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High-throughput screening of promising bifunctional catalysts for OER/ORR in disulfides

Mengyuan Wang, Zhiyan Feng, Pei Shi, Chao Zhang, Pengtao Wang, Lixin Li, Ye Shen and Long Lin

Surfaces and Interfaces, 2024, 53, 105069
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Rational molecular engineering towards efficient heterojunction solar cells based on organic molecular acceptors

Kaiyan 凯彦 Zhang 张, Peng 朋 Song 宋, Fengcai 凤才 Ma 马 and Yuanzuo 源作 Li 李

Chinese Phys. B, 2024, 33, 068402
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Hybrid nonfullerene acceptor merged from IT-4F and Y6 for efficient organic solar cells

Fangbo Zhao, Ming Sun, Zhihua Zhou, Lifei Yi, Jiamin Cao, Wenhong Peng, Qiang Tao, Wanqiang Liu, Xiaoyan Du and Donghong Yu

Dyes and Pigments, 2025, 243, 113065
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Photoinduced Charge Transfer at the D/A Interfaces of Isomerized DSMAs Regulated through an External Electric Field

Huijie Guo, Jingping Li, Xiaowei Ding, Meixia Zhang, Tõnu Pullerits and Peng Song

J. Phys. Chem. A, 2025, 129, 6198
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Hybrid nonfullerene acceptors based on thieno[2′,3′:4,5]thieno[3,2-b]indole for efficient organic solar cells

Zhiyong Zhang, Qijie Lin, Liang Xie, Zeguang Wu, Lifei Yi, Jiamin Cao, Qiang Tao, Wanqiang Liu, Xin Zhang and Hui Huang

Synthetic Metals, 2025, 310, 117785
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The role of third component in coumarin-based all-small-molecule ternary organic solar cells with non-fullerene acceptor based on molecular stacking

Li-Li Wang, Hai-Ping Zhou, Zhi-Wen Zhao, Qing-Qing Pan, Xing-Man Liu, Jin-Hong Han and Zhongmin Su

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2025, 329, 125624
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Enhancing PCE above 16.03% via linker engineering of donor layer: A DFT study of binary all-small-molecule organic solar cells

Muhammad Durair Sajjad Haider, Riaz Hussain, Noureen Kanwal, Ajaz Hussain, Affiefa Yawer, Muhammad Irtaza Sajjad Haider, Riaz Hussain, Khurshid Ayub and Khaled F Fawy

Surfaces and Interfaces, 2024, 55, 105434
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Bilayer layer-by-layer structures for enhanced efficiency and stability of organic photovoltaics beyond bulk heterojunctions

Tanya Kumari, Irina Vyalih, Miguel Ángel León Luna, Hamsa Ahmed, Mariam Ahmad, Rovshen Atajanov, Eswaran Jayaraman, Suraj Manikandan, Barbara Paci, Aldo Di Carlo, Jens Wenzel Andreasen, Vida Turkovic and Morten Madsen

Cell Reports Physical Science, 2024, 5, 102027
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Resolving the Atomistic Morphology of Domains and Interfaces in PM6:Y6 with Molecular Dynamics

Christine L. Mahajan, Enrique D. Gomez and Scott T. Milner

Macromolecules, 2025, 58, 2765
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Regulation of photoinduced charge transfer in all-small-molecule organic solar cells through the synergistic effect of external electric field and solvent

Huijie Guo, Xinyue Wang, Cong Shen, Xiaowei Ding, Meixia Zhang, Tõnu Pullerits and Peng Song

Journal of Luminescence, 2024, 268, 120415
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Regulation of organic solar cells performance through external electric field: From charge transfer mechanisms to photovoltaic properties

Huijie Guo, Xinyue Wang, Meixia Zhang, Tõnu Pullerits and Peng Song

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2025, 325, 125058
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Theoretical exploration of the molecular stacking and charge transfer mechanism of PBQx:Y6 OSCs

Qiuhua Liu, Chongchen Xiang, Qingxing Wu, Zaichun Zhou, Yingping Zou and Wanqiang Liu

Surfaces and Interfaces, 2024, 44, 103767
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Synthesis and DFT investigations of novel 13-(pyrimidin-2-yl)-6H,12H-6,12-epiminodibenzo[b,f][1,5]dioxocine derivatives

Ruo-Xin Li, Yan Zhang, Peng-Wei Chen, Guang-Jun Zhang and Hua Yuan

Journal of Molecular Structure, 2025, 1322, 140398
DOI: 10.1016/j.molstruc.2024.140398

Recent Advances in Polymorphism of Organic Solar Cells

Jingming Xin, Zemin He, Zefeng Liu, Xingpeng Liu, Huiyao Zhu, Zhe Zhang, Chunpeng Song, Xipeng Yin, Qiuju Liang and Jiangang Liu

Small, 2025, 21
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Synthesis of McGeachin bases and theoretical insights into reaction mechanisms

Peng-Wei Chen, Ruo-Xin Li, Yu Jiang, Hui Pan, Guang-Jun Zhang and Hua Yuan

Journal of Molecular Structure, 2025, 1338, 142297
DOI: 10.1016/j.molstruc.2025.142297

Engineering of asymmetric A1-D1-A2-D2-A1 type non-fullerene acceptors of 4T2CSi–4F derivatives to enhance photovoltaic properties: A DFT study

Usama Saeed, R. Bousbih, Ahmed Mahal, Hasan Majdi, Nazish Jahan, Majid S. Jabir, Mohamed S. Soliman, Ali Raza Ayub, Nadia H. Elsayed, Sajjad Ali, Rasheed Ahmad Khera and Muhammad Waqas

Journal of Physics and Chemistry of Solids, 2024, 192, 112094
DOI: 10.1016/j.jpcs.2024.112094

Optoelectronic analysis of designed semi-circular shaped thiophene-based bridged Y-series NFAs for organic solar cell applications

Ali Raza Ayub, Waqas Akram, Umer Yaqoob, Salba, Nimra Maqsood, Sidra Rafiq, Karim Youssef Nabat, Arslan Anwer, H.H. Somaily, Abdulkarim Alansari and Javed Iqbal

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2025, 324, 125022
DOI: 10.1016/j.saa.2024.125022

Elucidating fluorination effect on benzodithiophene-based donor material in organic solar cells

Zhi-Xue Chen, Si-Qi Huang, Li-Li Wang, Zhi-Wen Zhao, Wen-Wen Guo, Chuan-Yin Liu, Yan-Ling Wang, Qing-Qing Pan and Zhong-Min Su

Computational and Theoretical Chemistry, 2024, 1237, 114658
DOI: 10.1016/j.comptc.2024.114658

Machine learning-assisted performance prediction and molecular design of all-small-molecule organic solar cells based on the Y6 acceptor

Qiming Zhao, Yuqing Shan, Hu Zhou, Guangjun Zhang and Wanqiang Liu

Solar Energy, 2023, 265, 112115
DOI: 10.1016/j.solener.2023.112115

Substituting effect with end-capped groups on the photoelectric properties of non-fullerene acceptors for all-polymer solar cell

Cong Shen, Zifu Zang, Peng Song, Fengcai Ma and Yuanzuo Li

Solar Energy, 2024, 279, 112794
DOI: 10.1016/j.solener.2024.112794