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Issue 3, 2012
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Charge transfer in organic molecules for solar cells: theoretical perspective

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Abstract

This tutorial review primarily illustrates rate theories for charge transfer and separation in organic molecules for solar cells. Starting from the Fermi's golden rule for weak electronic coupling, we display the microcanonical and canonical rates, as well as the relationship with the Marcus formula. The fluctuation effect of bridges on the rate is further emphasized. Then, several rate approaches beyond the perturbation limit are revealed. Finally, we discuss the electronic structure theory for calculations of the electronic coupling and reorganization energy that are two key parameters in charge transfer, and show several applications.

Graphical abstract: Charge transfer in organic molecules for solar cells: theoretical perspective

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Publication details

The article was received on 02 Aug 2011 and first published on 21 Nov 2011


Article type: Tutorial Review
DOI: 10.1039/C1CS15207F
Citation: Chem. Soc. Rev., 2012,41, 1075-1087
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    Charge transfer in organic molecules for solar cells: theoretical perspective

    Y. Zhao and W. Liang, Chem. Soc. Rev., 2012, 41, 1075
    DOI: 10.1039/C1CS15207F

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