期刊
JOURNAL OF MATERIALS CHEMISTRY
卷 21, 期 5, 页码 1479-1486出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c0jm02467h
关键词
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资金
- Office of Naval Research
- Center for Advanced Molecular Photovoltaics, King Abdullah University of Science and Technology, KAUST [KUS-C1-015-21]
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.
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