Orbital Topology Controlling Charge Injection in Quantum-Dot-Sensitized Solar Cells

Thorsten Hansen, Karel Zidek, Kaibo Zheng, Mohamed Qenawy, Pavel Chabera, Petter Persson, Tönu Pullerits

Research output: Contribution to journalArticlepeer-review

27 Citations (SciVal)


Quantum-dot-sensitized solar cells are emerging as a promising development of dye-sensitized solar cells, where photostable semiconductor quantum dots replace molecular dyes. Upon photoexcitation of a quantum dot, an electron is transferred to a high-band-gap metal oxide. Swift electron transfer is crucial to ensure a high overall efficiency of the solar cell. Using femtosecond time-resolved spectroscopy, we find the rate of electron transfer to be surprisingly sensitive to the chemical structure of the linker molecules that attach the quantum dots to the metal oxide. A rectangular barrier model is unable to capture the observed variation. Applying bridge-mediated electron-transfer theory, we find that the electron-transfer rates depend on the topology of the frontier orbital of the molecular linker. This promises the capability of fine tuning the electron-transfer rates by rational design of the linker molecules.
Original languageEnglish
Pages (from-to)1157-1162
JournalThe Journal of Physical Chemistry Letters
Issue number7
Publication statusPublished - 2014

Bibliographical note

The information about affiliations in this record was updated in December 2015.
The record was previously connected to the following departments: Chemical Physics (S) (011001060), Theoretical Chemistry (S) (011001039)

Subject classification (UKÄ)

  • Theoretical Chemistry
  • Atom and Molecular Physics and Optics


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