Issue 3, 2012

Charge transfer in organic molecules for solar cells: theoretical perspective

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

Article information

Article type
Tutorial Review
Submitted
02 Aug 2011
First published
21 Nov 2011

Chem. Soc. Rev., 2012,41, 1075-1087

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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