Understanding Twisted Triarylboranes from Single Crystals to Heterojunction Blends and Their Applications in Organic Photovoltaics.
| Title: | Understanding Twisted Triarylboranes from Single Crystals to Heterojunction Blends and Their Applications in Organic Photovoltaics. |
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| Authors: | Han J; Julius-Maximilians-Universität Würzburg, Institute for Inorganic Chemistry and Institute for Sustainable Chemistry & Catalysis with Boron (ICB), Am Hubland, Würzburg 97074, Germany.; Xu H; Materials Science and Engineering Program (MSE), Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.; Sharma A; Materials Science and Engineering Program (MSE), Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.; Asatryan J; POLYMAT, University of the Basque Country UPV/EHU, Av. de Tolosa 72, San Sebastián 20018, Spain.; Rauch F; Julius-Maximilians-Universität Würzburg, Institute for Inorganic Chemistry and Institute for Sustainable Chemistry & Catalysis with Boron (ICB), Am Hubland, Würzburg 97074, Germany.; Friedrich A; Julius-Maximilians-Universität Würzburg, Institute for Inorganic Chemistry and Institute for Sustainable Chemistry & Catalysis with Boron (ICB), Am Hubland, Würzburg 97074, Germany.; Krebs J; Julius-Maximilians-Universität Würzburg, Institute for Inorganic Chemistry and Institute for Sustainable Chemistry & Catalysis with Boron (ICB), Am Hubland, Würzburg 97074, Germany.; Swoboda L; Julius-Maximilians-Universität Würzburg, Institute for Inorganic Chemistry and Institute for Sustainable Chemistry & Catalysis with Boron (ICB), Am Hubland, Würzburg 97074, Germany.; Schuster J; Julius-Maximilians-Universität Würzburg, Institute for Inorganic Chemistry and Institute for Sustainable Chemistry & Catalysis with Boron (ICB), Am Hubland, Würzburg 97074, Germany.; Pagidi S; Department of Inorganic and Physical Chemistry, Indian Institute of Science (IISc), Bangalore 560012, India.; Kalluvettukuzhy NK; Department of Inorganic and Physical Chemistry, Indian Institute of Science (IISc), Bangalore 560012, India.; Alqurashi M; Materials Science and Engineering Program (MSE), Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.; Thilagar P; Department of Inorganic and Physical Chemistry, Indian Institute of Science (IISc), Bangalore 560012, India.; Schopper N; Julius-Maximilians-Universität Würzburg, Institute for Inorganic Chemistry and Institute for Sustainable Chemistry & Catalysis with Boron (ICB), Am Hubland, Würzburg 97074, Germany.; Krummenacher I; Julius-Maximilians-Universität Würzburg, Institute for Inorganic Chemistry and Institute for Sustainable Chemistry & Catalysis with Boron (ICB), Am Hubland, Würzburg 97074, Germany.; Stepanenko V; Institut für Organische Chemie, Center for Nanosystems Chemistry & Bavarian Polymer Institute, Universität Würzburg, Würzburg 97074, Germany.; Finze M; Julius-Maximilians-Universität Würzburg, Institute for Inorganic Chemistry and Institute for Sustainable Chemistry & Catalysis with Boron (ICB), Am Hubland, Würzburg 97074, Germany.; Braunschweig H; Julius-Maximilians-Universität Würzburg, Institute for Inorganic Chemistry and Institute for Sustainable Chemistry & Catalysis with Boron (ICB), Am Hubland, Würzburg 97074, Germany.; Martín J; POLYMAT, University of the Basque Country UPV/EHU, Av. de Tolosa 72, San Sebastián 20018, Spain.; Würthner F; Institut für Organische Chemie, Center for Nanosystems Chemistry & Bavarian Polymer Institute, Universität Würzburg, Würzburg 97074, Germany.; Baran D; Materials Science and Engineering Program (MSE), Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.; Marder TB; Julius-Maximilians-Universität Würzburg, Institute for Inorganic Chemistry and Institute for Sustainable Chemistry & Catalysis with Boron (ICB), Am Hubland, Würzburg 97074, Germany. |
| Source: | Journal of the American Chemical Society [J Am Chem Soc] 2025 Aug 13; Vol. 147 (32), pp. 28694-28713. Date of Electronic Publication: 2025 Aug 04. |
| Publication Type: | Journal Article |
| Language: | English |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5126 (Electronic) Linking ISSN: 00027863 NLM ISO Abbreviation: J Am Chem Soc Subsets: MEDLINE; PubMed not MEDLINE |
| Imprint Name(s): | Publication: Washington, DC : American Chemical Society; Original Publication: Easton, Pa. [etc.] |
| Abstract: | The triarylborane family has expanded rapidly as valuable π electron-accepting moieties in organic materials, yet the performance and application of triarylboranes in organic photovoltaics (OPVs) have thus far been limited. Herein, we present a comprehensive platform of 17 distinct triarylboranes to investigate their structure-property relationships from single crystals to heterojunction blends and further to OPV device performance. We show that twisted triarylboranes exhibit distinct molecular packing behavior in the solid state, characterized by limited π-π stacking and the lack of the face-on orientation required for efficient light-to-electric conversion, in contrast to state-of-the-art OPV materials. However, when incorporated as a third component, triarylboranes induce red-shifted absorption and blue-shifted photoluminescence spectra in OPV materials, thereby reducing reorganization energies in blends. Furthermore, triarylboranes possessing high dipole moments and trap-free energetics enhance power conversion efficiencies (PCEs) in devices. Notably, careful molecular design of triarylboranes is essential, as strong donor moieties lead to high-lying HOMOs in triarylboranes, creating energetic traps in OPV blends and significantly reducing PCEs. Finally, we demonstrate the application of triarylboranes in semitransparent OPVs, achieving improved PCEs and stability without losing semitransparent performance, and in state-of-the-art PM6/L8-BO-based blends, achieving impressive PCEs of 19.56%. These findings offer valuable guidance for the rational design of triarylboranes for OPVs and related organic electronic applications, reducing reliance on trial-and-error approaches. |
| Entry Date(s): | Date Created: 20250804 Latest Revision: 20250814 |
| Update Code: | 20260130 |
| DOI: | 10.1021/jacs.5c02308 |
| PMID: | 40758053 |
| Database: | MEDLINE |
Journal Article