On the Long-Range Exciton Transport in Molecular Systems: The Application to H-Aggregated Heterotriangulene Chains

Self-assembled aggregates of pigment molecules are potential building blocks for excitonic circuits that find their application in energy conversion and optical signal processing. Recent experimental studies of one-dimensional heterotriangulene supramolecular aggregates suggested that singlet excito...

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Bibliographic Details
Published in:Journal of physical chemistry. C 2017-11, Vol.121 (45), p.24994-25002
Main Authors: Saikin, Semion K, Shakirov, Mars A, Kreisbeck, Christoph, Peskin, Uri, Proshin, Yurii N, Aspuru-Guzik, Alán
Format: Article
Language:English
Subjects:
Chemistry
Materials Science
Science & Technology - Other Topics
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Summary:Self-assembled aggregates of pigment molecules are potential building blocks for excitonic circuits that find their application in energy conversion and optical signal processing. Recent experimental studies of one-dimensional heterotriangulene supramolecular aggregates suggested that singlet excitons in these structures can propagate on several micron distances. We explore this possibility theoretically by combining electronic structure calculations with microscopic models for exciton transport. A detailed characterization of the structural disorder and exciton decoherence is provided. We argue that advanced, well-established exciton transport models, used in our study, give about one order of magnitude shorter estimates for the exciton propagation length which suggest that there are other possible explanations of the experimental results.
ISSN:1932-7447
1932-7455
DOI:10.1021/acs.jpcc.7b08933