Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 118, Issue 47, Pages 27272-27280Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp5098102
Keywords
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Funding
- National Natural Science Foundation of China [21373109]
- National Basic Research Program of China [2011CB808604]
- European Research Council [615834]
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Efficient organic solar cells require a high yield of exciton dissociation. Herein we investigate the possibility of having more than one charge-transfer (CT) state below the first optically bright Frenkel exciton state (FE) for common molecular donor (D)/acceptor (A) pairs and the role of the second-lowest CT state (CT2) in the exciton dissociation process. This situation, previously explored only for fullerene acceptors, is shown to be rather common for other D/A pairs. By considering a phenomenological model of a large aggregate, we reveal that the position of CT2 can remarkably modulate the exciton dissociation rate by up to more than two orders of magnitude. Thus, controlling the alignment of CT2 is suggested as a promising rule for designing new D/A heterojunctions.
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