Molecular Orientation and Femtosecond Electron Transfer Dynamics in Halogenated and Nonhalogenated, Eco-Friendly Processed PTB7-Th, ITIC, PTB7-Th:ITIC, and PTB7-Th:PCBM Films

Synergistic effects of the electronic structure and morphology in the PTB7-Th polymer and the nonfullerene acceptor ITIC molecule resulted in state-of-art systems for organic solar cells, achieving over 12% power conversion efficiency (PCE) values. Furthermore, the substitution of harmful halogenate...

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Veröffentlicht in:Journal of physical chemistry. C 2022-07, Vol.126 (26), p.10807-10817
Hauptverfasser: Misael, Wilken A., Péan, Emmanuel V., Borges, Bruno Gabriel A. L., Mello, Gabriela da Cruz, Wouk, Luana, Davies, Matthew L., Roman, Lucimara S., Rocco, Maria Luiza M.
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container_end_page 10817
container_issue 26
container_start_page 10807
container_title Journal of physical chemistry. C
container_volume 126
creator Misael, Wilken A.
Péan, Emmanuel V.
Borges, Bruno Gabriel A. L.
Mello, Gabriela da Cruz
Wouk, Luana
Davies, Matthew L.
Roman, Lucimara S.
Rocco, Maria Luiza M.
description Synergistic effects of the electronic structure and morphology in the PTB7-Th polymer and the nonfullerene acceptor ITIC molecule resulted in state-of-art systems for organic solar cells, achieving over 12% power conversion efficiency (PCE) values. Furthermore, the substitution of harmful halogenated solvents to environmentally friendly solvents that do not compromise PCE values has become a subject of great interest in recent literature. In this work, we employed sulfur K-edge Angle-Resolved Near-Edge X-ray Absorption Fine Structure, Resonant Auger Spectroscopy, and the core-hole clock spectroscopy in an attempt to gain information on the effect of different processing methods on the electronic and morphological properties of these systems. Comparison with the PTB7-Th:PCBM blend, which uses a conventional acceptor molecule, was also performed. Steady-state and time-resolved photoluminescence results were obtained for neat PTB7-Th and blends with ITIC and PCBM. Theoretical calculations were performed utilizing restricted-excitation-window time-dependent density functional theory. Our results shows that ortho-methylanisole is a potential replacement to the conventional halogenated solvent ortho-dichlorobenzene, as they show that in terms of morphology and charge transfer dynamics, no expressive changes occurred by varying the solvent and by thermal annealing.
doi_str_mv 10.1021/acs.jpcc.2c01298
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title Molecular Orientation and Femtosecond Electron Transfer Dynamics in Halogenated and Nonhalogenated, Eco-Friendly Processed PTB7-Th, ITIC, PTB7-Th:ITIC, and PTB7-Th:PCBM Films
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