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Tönu Pullerits. Portrait.

Tönu Pullerits

Professor

Tönu Pullerits. Portrait.

Photoinduced charge transfer assisted through external electric field and ternary hydrogen bonding strategies

Author

  • Huijie Guo
  • Xinyue Wang
  • Cong Shen
  • Meixia Zhang
  • Tõnu Pullerits
  • Peng Song

Summary, in English

Understanding the mechanisms governing interfacial charge transfer in photoactive layer is crucial for optimizing photogenerated charge separation efficiency. In this study, the interfacial charge transfer process is regulated by applying external electric field (Fext) and ternary hydrogen bonding strategies. We observe significant changes in the excited state properties and charge transfer parameters at the interface under Fext conditions. This facilitates an in-depth exploration of the effects of Fext on the microscopic details of the interface at the molecular level. Implementing the ternary hydrogen bonding strategy significantly enhances the electron-attracting ability of fullerene. Comparative analysis of the PTB7-Th:PC71BM and PTB7-Th:C7:PC71BM systems under Fext = 0, reveals that the ternary hydrogen bonding strategy increases the charge transfer pathway and significantly improves the intermolecular charge separation rate (KCS). Additionally, we evaluated the relationship between hydrogen bond strength and Fext, demonstrating that Fext significantly enhances the hydrogen bond strength between C7:PC71BM. These studies provide deeper insights into the role of Fext and ternary hydrogen bonding strategies in charge transfer process, providing a valuable theoretical framework for designing more efficient organic solar cells (OSCs).

Department/s

  • Chemical Physics
  • eSSENCE: The e-Science Collaboration
  • NanoLund: Centre for Nanoscience
  • LTH Profile Area: Nanoscience and Semiconductor Technology
  • LTH Profile Area: Photon Science and Technology
  • LU Profile Area: Light and Materials

Publishing year

2024-11

Language

English

Publication/Series

Journal of Molecular Liquids

Volume

413

Document type

Journal article

Publisher

Elsevier

Topic

  • Atom and Molecular Physics and Optics

Keywords

  • Charge transfer
  • External electric field
  • Photoactive layer
  • Ternary hydrogen bonding strategy

Status

Published

ISBN/ISSN/Other

  • ISSN: 0167-7322