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Portrait of Tönu Pullerits; Photo: Kennet Ruona

Tönu Pullerits

Professor

Portrait of Tönu Pullerits; Photo: Kennet Ruona

Theoretical Characterization of the PC60BM:PDDTT Model for an Organic Solar Cell

Author

  • Yuanzuo Li
  • Tönu Pullerits
  • Meiyu Zhao
  • Mengtao Sun

Summary, in English

We use time-dependent density functional theory together with a set of extensive multidimensional visualization techniques to characterize band gap, optical absorption properties, intramolecular and intern-wreaths charge transfer, exciton binding energy, charge transfer integral, and the rate of charge transfer and recombination in the PC60BM:PDDTT Model of an organic,solar cell. These theoretical methods and calculation techniques only promote deeper understanding of the connection between chemical structures and the optical and electronic properties Of the donor-acceptor system but also can be used to rational design novel donor-acceptor system.

Department/s

  • Chemical Physics
  • NanoLund: Center for Nanoscience

Publishing year

2011

Language

English

Pages

21865-21873

Publication/Series

Journal of Physical Chemistry C

Volume

115

Issue

44

Document type

Journal article

Publisher

The American Chemical Society (ACS)

Topic

  • Atom and Molecular Physics and Optics

Status

Published

ISBN/ISSN/Other

  • ISSN: 1932-7447