A comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic solar cells

被引：114

作者：

Yi, Yuanping

Coropceanu, Veaceslav

Bredas, Jean-Luc ^{[1
]}

机构：

[1] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA

来源：

JOURNAL OF MATERIALS CHEMISTRY | 2011年 / 21卷 / 05期

关键词：

ELECTRON-TRANSFER; PHOTOVOLTAIC PROPERTIES; SINGLE-CRYSTALS; THIN-FILM; ENERGY; SEPARATION; C-60; SEMICONDUCTORS; POLYTHIOPHENE; PARAMETERS;

D O I：

10.1039/c0jm02467h

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：

The exciton-dissociation and charge-recombination processes in donor-acceptor complexes found in alpha-sexithienyl/C-60 and alpha-sexithienyl/perylenetetracarboxydiimide (PDI) solar cells are investigated by means of quantum-chemical methods. The electronic couplings and exciton-dissociation and charge-recombination rates have been evaluated for various configurations of the complexes. The results suggest that the decay of the lowest charge-transfer state to the ground state in the PDI-based devices: (i) is faster than that in the fullerene-based devices and (ii) in most cases, can compete with the dissociation of the charge-transfer state into mobile charge carriers. This faster charge-recombination process is consistent with the lower performance observed experimentally for the devices using PDI derivatives as the acceptor.

引用

收藏

页码：1479 / 1486

页数：8

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