State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, PR China.
Chem Soc Rev. 2012 Feb 7;41(3):1075-87. doi: 10.1039/c1cs15207f. Epub 2011 Nov 21.
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.
本教程主要回顾了用于太阳能电池的有机分子中的电荷转移和分离的速率理论。从弱电子耦合的费米黄金定则出发，我们展示了微正则和正则速率，以及与马库斯公式的关系。进一步强调了桥梁对速率的涨落效应。然后，揭示了几种超出微扰极限的速率方法。最后，我们讨论了电子结构理论在计算电荷转移的两个关键参数-电子耦合和重组能中的应用，并展示了几个应用实例。
