Cavity-Mediated Enhancement of the Energy Transfer in the Reduced Fenna–Matthews–Olson Complex

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Author(s)Herrera Rodríguez, Luis E.
Author(s)Sindhu, Aarti
Author(s)Rueda Espinosa, Kennet J.
Author(s)Kananenka, Alexei A.
Date Accessioned2024-10-16T17:02:57Z
Date Available2024-10-16T17:02:57Z
Publication Date2024-08-27
DescriptionThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Chemical Theory and Computation, copyright © 2024 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jctc.4c00626. This article will be embargoed until 08/27/2025.
AbstractStrong light-matter interaction leads to the formation of hybrid polariton states and can alter the light-harvesting properties of natural photosynthetic systems without modifying their chemical structure. In the present study, we computationally investigate the effect of the resonant cavity on the efficiency and the rate of the population transfer in a quantum system coupled to the cavity and the dissipative environment. The parameters of the model system were chosen to represent the Fenna–Matthews–Olson natural light-harvesting complex reduced to the three essential sites. The dynamics of the total system was propagated using the hierarchical equations of motion. Our results show that the strong light-matter interaction can accelerate the population transfer process compared to the cavity-free case but at the cost of lowering the transfer efficiency. The transition to the strong coupling regime was found to coincide with the degeneracy of polariton eigenvalues. Our findings indicate the potential and the limit of tuning the energy transfer in already efficient natural light-harvesting systems.
SponsorThis work is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award Number DE-SC0024511. A.A.K. also acknowledges the start-up funds provided by the College of Arts and Sciences and the Department of Physics and Astronomy of the University of Delaware. Calculations were performed with high-performance computing resources provided by the University of Delaware.
CitationHerrera Rodríguez, Luis E., Aarti Sindhu, Kennet J. Rueda Espinosa, and Alexei A. Kananenka. “Cavity-Mediated Enhancement of the Energy Transfer in the Reduced Fenna–Matthews–Olson Complex.” Journal of Chemical Theory and Computation 20, no. 17 (September 10, 2024): 7393–7403. https://doi.org/10.1021/acs.jctc.4c00626.
ISSN1549-9626
URLhttps://udspace.udel.edu/handle/19716/35236
Languageen_US
PublisherJournal of Chemical Theory and Computation
Keywordscavities
Keywordsenergy
Keywordsenergy transfer
Keywordspolaritons
Keywordsquantum mechanics
TitleCavity-Mediated Enhancement of the Energy Transfer in the Reduced Fenna–Matthews–Olson Complex
TypeArticle
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