Structure-Dynamics Relation in Physically-Plausible Multi-Chromophore Systems
| العنوان: | Structure-Dynamics Relation in Physically-Plausible Multi-Chromophore Systems |
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| المؤلفون: | Luke D. Smith, George C. Knee, Alessandro Troisi, Animesh Datta, Patrick Rowe |
| المصدر: | The journal of physical chemistry letters. 8(10) |
| سنة النشر: | 2017 |
| مصطلحات موضوعية: | Relation (database), Exciton, Structure (category theory), FOS: Physical sciences, 02 engineering and technology, 01 natural sciences, Quantum mechanics, Physics - Chemical Physics, 0103 physical sciences, Master equation, QD, General Materials Science, Statistical physics, Physics - Biological Physics, Physical and Theoretical Chemistry, 010306 general physics, QC, Chemical Physics (physics.chem-ph), Quantum Physics, Quantitative Biology::Biomolecules, Physics::Biological Physics, Chemistry, Dynamics (mechanics), Charge (physics), Chromophore, 021001 nanoscience & nanotechnology, Orientation (vector space), Biological Physics (physics.bio-ph), 0210 nano-technology, Quantum Physics (quant-ph) |
| الوصف: | 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-Olson 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. Comment: 7+6pp, 3+10 figures. Accepted version. Data available at http://doi.org/10.6084/m9.figshare.c.3784874.v1 |
| وصف الملف: | application/pdf |
| تدمد: | 1948-7185 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d3d0ac71e005ba9bf30c20e36e25672 https://pubmed.ncbi.nlm.nih.gov/28657318 |
| حقوق: | OPEN |
| رقم الأكسشن: | edsair.doi.dedup.....0d3d0ac71e005ba9bf30c20e36e25672 |
| قاعدة البيانات: | OpenAIRE |
Find this issue from the American Chemical Society | تدمد: | 19487185 |
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