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Structure-dynamics relation in physically-plausible multi-chromophore systems
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Knee, George C., Rowe, Patrick, Smith, Luke, Troisi, Alessandro and Datta, Animesh (2017) Structure-dynamics relation in physically-plausible multi-chromophore systems. The Journal of Physical Chemistry Letters, 8 (10). pp. 2328-2333. doi:10.1021/acs.jpclett.7b00829 ISSN 1948-7185.
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WRAP-structure-dynamics-physically-plausible multi-chromophore-Troisi-2017.pdf - Accepted Version - Requires a PDF viewer. Download (1695Kb) | Preview |
Official URL: http://dx.doi.org/10.1021/acs.jpclett.7b00829
Abstract
We study a large number of physically-plausible arrangements of chromophores, generated via a computational method involving stochastic real-space transformations of a naturally occurring `reference' structure, illustrating our methodology using the well-studied Fenna-Matthews-Olsen complex (FMO). To explore the idea that the natural structure has been tuned for efficient energy transport we use an atomic transition charge method to calculate the excitonic couplings of each generated structure and a Lindblad master equation to study the quantum transport of an exciton from a `source' to a `drain' chromophore. We find significant correlations between structure and transport efficiency: High-performing structures tend to be more compact and, among those, the best structures display a certain orientation of the chromophores, particularly the chromophore closest to the source-to-drain vector. We conclude that, subject to reasonable, physically-motivated constraints, the FMO complex is highly attuned to the purpose of energy transport, partly by exploiting these structural motifs.
Item Type: | Journal Article | ||||||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Physics |
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Library of Congress Subject Headings (LCSH): | Chemistry, Physical and theoretical | ||||||||
Journal or Publication Title: | The Journal of Physical Chemistry Letters | ||||||||
Publisher: | American Chemical Society | ||||||||
ISSN: | 1948-7185 | ||||||||
Official Date: | 18 May 2017 | ||||||||
Dates: |
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Volume: | 8 | ||||||||
Number: | 10 | ||||||||
Page Range: | pp. 2328-2333 | ||||||||
DOI: | 10.1021/acs.jpclett.7b00829 | ||||||||
Status: | Peer Reviewed | ||||||||
Publication Status: | Published | ||||||||
Access rights to Published version: | Restricted or Subscription Access | ||||||||
Date of first compliant deposit: | 11 May 2017 | ||||||||
Date of first compliant Open Access: | 5 May 2018 | ||||||||
Funder: | Great Britain. Royal Commission for the Exhibition of 1851, Engineering and Physical Sciences Research Council (EPSRC), European Research Council (ERC), Monash-Warwick Alliance | ||||||||
Grant number: | EP/K04057X/2 (EPSRC), Grant No. 615834 (ERC) |
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