Mapping the Relation between Stacking Geometries and Singlet Fission Yield in a Class of Organic Crystals

被引：140

作者：

Renaud, Nicolas ^{[1
]}

Sherratt, Paul A. ^{[1
]}

Ratner, Mark A. ^{[1
]}

机构：

[1] Northwestern Univ, Dept Chem, Evanston, IL 60201 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2013年 / 4卷 / 07期

关键词：

TRIPLET EXCITONS; ELECTRON-TRANSFER; THIN-FILM; CHARGE; ENERGY; TRANSPORT; STATE; SEMICONDUCTORS; TRANSISTORS; PENTACENE;

D O I：

10.1021/jz400176m

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

By generating two free charge carriers from a single high-energy photon, singlet fission (SF) promises to significantly improve the efficiency of a class of organic photovoltaics (OPVs). However, SF is generally a very inefficient process with only a small number of absorbed photons successfully converting into triplet states. In this Letter, we map the relation between stacking geometry and SF yield in crystals based on perylenediimide (PDI) derivatives. This structure-function analysis provides a potential explanation for the SF yield discrepancies observed among similar molecular crystals and may help to identify favorable geometries that lead to an optimal SF yield. Exploring the subtle relationship between stacking geometry and SF yield, this Letter suggests using crystal structure engineering to improve the design of SF-based OPVs.

引用

页码：1065 / 1069

页数：5

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