Banana‐shaped electron acceptors with an electron‐rich core fragment and 3D packing capability
Abstract The emergence of Y6‐type nonfullerene acceptors has greatly enhanced the power conversion efficiency (PCE) of organic solar cells (OSCs). However, which structural feature is responsible for the excellent photovoltaic performance is still under debate. In this study, two Y6‐like acceptors B...
| Main Authors: | , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2023-01-01
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| Series: | Carbon Energy |
| Subjects: | |
| Online Access: | https://doi.org/10.1002/cey2.250 |
| _version_ | 1828084587803181056 |
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| author | Pengqi Li Xianyi Meng Ke Jin Zhiwei Xu Jianqi Zhang Lixiu Zhang Chuang Niu Furui Tan Chenyi Yi Zuo Xiao Yaqing Feng Guan‐Wu Wang Liming Ding |
| author_facet | Pengqi Li Xianyi Meng Ke Jin Zhiwei Xu Jianqi Zhang Lixiu Zhang Chuang Niu Furui Tan Chenyi Yi Zuo Xiao Yaqing Feng Guan‐Wu Wang Liming Ding |
| author_sort | Pengqi Li |
| collection | DOAJ |
| description | Abstract The emergence of Y6‐type nonfullerene acceptors has greatly enhanced the power conversion efficiency (PCE) of organic solar cells (OSCs). However, which structural feature is responsible for the excellent photovoltaic performance is still under debate. In this study, two Y6‐like acceptors BDOTP‐1 and BDOTP‐2 were designed. Different from previous Y6‐type acceptors featuring an A–D–Aʹ–D–A structure, BDOTP‐1, and BDOTP‐2 have no electron‐deficient Aʹ fragment in the core unit. Instead, there is an electron‐rich dibenzodioxine fragment in the core. Although this modification leads to a marked change in the molecular dipole moment, electrostatic potential, frontier orbitals, and energy levels, BDOTP acceptors retain similar three‐dimensional packing capability as Y6‐type acceptors due to the similar banana‐shaped molecular configuration. BDOTP acceptors show good performance in OSCs. High PCEs of up to 18.51% (certified 17.9%) are achieved. This study suggests that the banana‐shaped configuration instead of the A–D–Aʹ–D–A structure is likely to be the determining factor in realizing high photovoltaic performance. |
| first_indexed | 2024-04-11T04:28:12Z |
| format | Article |
| id | doaj.art-68159985ba0c44d4ab9de884860a71cd |
| institution | Directory Open Access Journal |
| issn | 2637-9368 |
| language | English |
| last_indexed | 2024-04-11T04:28:12Z |
| publishDate | 2023-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Carbon Energy |
| spelling | doaj.art-68159985ba0c44d4ab9de884860a71cd2022-12-29T14:03:27ZengWileyCarbon Energy2637-93682023-01-0151n/an/a10.1002/cey2.250Banana‐shaped electron acceptors with an electron‐rich core fragment and 3D packing capabilityPengqi Li0Xianyi Meng1Ke Jin2Zhiwei Xu3Jianqi Zhang4Lixiu Zhang5Chuang Niu6Furui Tan7Chenyi Yi8Zuo Xiao9Yaqing Feng10Guan‐Wu Wang11Liming Ding12School of Chemical Engineering and Technology Tianjin University Tianjin ChinaKey Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing ChinaKey Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing ChinaKey Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing ChinaKey Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing ChinaKey Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing ChinaDepartment of Chemistry University of Science and Technology of China Hefei ChinaKey Laboratory of Photovoltaic Materials Henan University Kaifeng ChinaDepartment of Electrical Engineering Tsinghua University Beijing ChinaKey Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing ChinaSchool of Chemical Engineering and Technology Tianjin University Tianjin ChinaDepartment of Chemistry University of Science and Technology of China Hefei ChinaKey Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing ChinaAbstract The emergence of Y6‐type nonfullerene acceptors has greatly enhanced the power conversion efficiency (PCE) of organic solar cells (OSCs). However, which structural feature is responsible for the excellent photovoltaic performance is still under debate. In this study, two Y6‐like acceptors BDOTP‐1 and BDOTP‐2 were designed. Different from previous Y6‐type acceptors featuring an A–D–Aʹ–D–A structure, BDOTP‐1, and BDOTP‐2 have no electron‐deficient Aʹ fragment in the core unit. Instead, there is an electron‐rich dibenzodioxine fragment in the core. Although this modification leads to a marked change in the molecular dipole moment, electrostatic potential, frontier orbitals, and energy levels, BDOTP acceptors retain similar three‐dimensional packing capability as Y6‐type acceptors due to the similar banana‐shaped molecular configuration. BDOTP acceptors show good performance in OSCs. High PCEs of up to 18.51% (certified 17.9%) are achieved. This study suggests that the banana‐shaped configuration instead of the A–D–Aʹ–D–A structure is likely to be the determining factor in realizing high photovoltaic performance.https://doi.org/10.1002/cey2.2503D packing capabilitycore fragmentmolecular configurationnonfullerene acceptorsorganic solar cells |
| spellingShingle | Pengqi Li Xianyi Meng Ke Jin Zhiwei Xu Jianqi Zhang Lixiu Zhang Chuang Niu Furui Tan Chenyi Yi Zuo Xiao Yaqing Feng Guan‐Wu Wang Liming Ding Banana‐shaped electron acceptors with an electron‐rich core fragment and 3D packing capability Carbon Energy 3D packing capability core fragment molecular configuration nonfullerene acceptors organic solar cells |
| title | Banana‐shaped electron acceptors with an electron‐rich core fragment and 3D packing capability |
| title_full | Banana‐shaped electron acceptors with an electron‐rich core fragment and 3D packing capability |
| title_fullStr | Banana‐shaped electron acceptors with an electron‐rich core fragment and 3D packing capability |
| title_full_unstemmed | Banana‐shaped electron acceptors with an electron‐rich core fragment and 3D packing capability |
| title_short | Banana‐shaped electron acceptors with an electron‐rich core fragment and 3D packing capability |
| title_sort | banana shaped electron acceptors with an electron rich core fragment and 3d packing capability |
| topic | 3D packing capability core fragment molecular configuration nonfullerene acceptors organic solar cells |
| url | https://doi.org/10.1002/cey2.250 |
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