Collective Response in DNA-Stabilized Silver Cluster Assemblies from First-Principles Simulations
Please always quote using this URN: urn:nbn:de:bvb:20-opus-198729
- We investigate fluorescence resonant energy transfer and concurrent electron dynamics in a pair of DNA-stabilized silver clusters. For this purpose we introduce a methodology for the simulation of collective optoelectronic properties of coupled molecular aggregates starting from first-principles quantum chemistry, which can be further applied to a broad range of coupled molecular systems to study their electro-optical response. Our simulations reveal the existence of low-energy coupled excitonic states, which enable ultrafast energy transportWe investigate fluorescence resonant energy transfer and concurrent electron dynamics in a pair of DNA-stabilized silver clusters. For this purpose we introduce a methodology for the simulation of collective optoelectronic properties of coupled molecular aggregates starting from first-principles quantum chemistry, which can be further applied to a broad range of coupled molecular systems to study their electro-optical response. Our simulations reveal the existence of low-energy coupled excitonic states, which enable ultrafast energy transport between subunits, and give insight into the origin of the fluorescence signal in coupled DNA-stabilized silver clusters, which have been recently experimentally detected. Hence, we demonstrate the possibility of constructing ultrasmall energy transmission lines and optical converters based on these hybrid molecular systems.…
Author: | Polina G. Lisinetskaya, Roland MitricORCiD |
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URN: | urn:nbn:de:bvb:20-opus-198729 |
Document Type: | Preprint |
Faculties: | Fakultät für Chemie und Pharmazie / Institut für Physikalische und Theoretische Chemie |
Language: | English |
Parent Title (English): | The Journal of Physical Chemistry Letters |
Year of Completion: | 2019 |
Source: | The Journal of Physical Chemistry Letters 2019, 10, 24, 7884-7889. https://doi.org/10.1021/acs.jpclett.9b03136. |
URL: | https://doi.org/10.1021/acs.jpclett.9b03136 |
Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 541 Physikalische Chemie |
Tag: | Metal clusters |
Release Date: | 2020/01/28 |
EU-Project number / Contract (GA) number: | 646737 |
OpenAIRE: | OpenAIRE |
Note: | This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in Journal of Physical Chemistry A, copyright © American Chemical Society after peer review. To access the final edited and published work see The Journal of Physical Chemistry Letters 2019, 10, 24, 7884-7889. https://doi.org/10.1021/acs.jpclett.9b03136. |
Licence (German): | Deutsches Urheberrecht |