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Exciton Dissociation Pathways in Donor/Acceptor Blends Studied by the Wave Packet Dynamics
https://repo.qst.go.jp/records/2001877
https://repo.qst.go.jp/records/20018774f64561f-52d9-41f4-b695-bf4351f3821d
| アイテムタイプ | 学術雑誌論文 / Journal Article(1) | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| 公開日 | 2025-10-03 | |||||||||
| タイトル | ||||||||||
| タイトル | Exciton Dissociation Pathways in Donor/Acceptor Blends Studied by the Wave Packet Dynamics | |||||||||
| 言語 | en | |||||||||
| 言語 | ||||||||||
| 言語 | eng | |||||||||
| 資源タイプ | ||||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||
| 資源タイプ | journal article | |||||||||
| 著者 |
Fujita Takatoshi
× Fujita Takatoshi
× Nozaki Misa
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| 抄録 | ||||||||||
| 内容記述タイプ | Abstract | |||||||||
| 内容記述 | Understanding the relationship between the energy levels and the charge photogeneration in donor/acceptor blends is crucial to improving the power conversion efficiency of organic solar cells. Here, we investigate the exciton dissociation dynamics in poly(3-hexylthiophene) (P3HT)/[6,6]-phenyl-C61-butyric acid methyl ester (PCBM) blends by employing the ensemble-averaged wave packet dynamics and the Marcus-LevichJortner rate equation. To improve the accuracy of the wave packet dynamics method, we introduced the reorganization and temperature corrections and validated these methods against the hierarchy equation of motion method. Our analyses reveal that higher-energy charge transfer (CT) states, often overlooked in conventional models, play a significant role in facilitating exciton dissociation. These results highlight the importance of considering the entire CT-state manifold in understanding the charge photogeneration dynamics in donor/acceptor blends. | |||||||||
| 書誌情報 |
Physical Chemistry Chemical Physics 巻 27, p. 20765-20772, 発行日 2025-10 |
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| 出版者 | ||||||||||
| 出版者 | Royal Society of Chemistry | |||||||||
| DOI | ||||||||||
| 識別子タイプ | DOI | |||||||||
| 関連識別子 | 10.1039/D5CP01637A | |||||||||
