期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 123, 期 1, 页码 306-314出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.8b11504
关键词
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资金
- Center for Excitonics, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001088]
- Research Corporation for Scientific Advancement through a Cottrell Scholars Award
- U.S. Department of Energy Office of Science User Facility [DE-AC02-05CH11231]
In this paper, we investigate the role of correlated molecular disorder on the dynamics of excitons in oligothiophene-based organic semiconductors. We simulate exciton dynamics using the Frenkel exciton model and derive parameters for this model so that they reflect the specific characteristics of all-atom molecular systems. By systematically modifying the parameters of the Frenkel exciton model, we isolate the influence of spatial and temporal molecular correlations on the dynamics of excitons in these systems. For the oligothiophene systems considered here, we find that the molecular fluctuations exhibit long-lived memory effects, but these effects do not significantly influence the dynamic properties of excitons. We also find that excitons can be sensitive to the molecular-scale spatial correlations, and that this sensitivity grows with the amount of energetic disorder within the material. We conclude that control over spatial correlations can mitigate the negative influence of disorder on exciton transport.
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