期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 127, 期 16, 页码 6077-6086出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja042390l
关键词
-
This work focuses on two fundamental processes in organic solar cells-exciton dissociation and charge recombination-and describes how quantum-chemical calculations can be exploited to estimate the molecular parameters that determine the rates of these processes. The general concepts behind our approach are illustrated by considering a donor-acceptor complex made of a phthalocyanine (electron donor) molecule and a perylene (acceptor) molecule. The results highlight how the relative rates of the two processes depend on the dimensionality of the molecules, their relative positions, the symmetry of the relevant electronic levels, and the polarity of the medium. It is shown, for instance, that highly symmetric configurations of the complex can strongly limit charge recombination; this emphasizes the need for a fine control of the supramolecular organization at organic-organic interfaces in donor-acceptor blends.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据