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Collective Response in DNA-Stabilized Silver Cluster Assemblies from First-Principles Simulations.

Polina G Lisinetskaya¹, Roland Mitrić¹

¹Institut für Physikalische und Theoretische Chemie , Universität Würzburg , D-97074 Würzburg , Germany.

The Journal of Physical Chemistry Letters

|November 28, 2019

Summary

We simulated energy transfer in DNA-silver clusters, revealing ultrafast transport via coupled excitonic states. This work paves the way for ultrasmall optical devices and energy transmission lines.

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Area of Science:

Quantum Chemistry
Molecular Biophysics
Nanotechnology

Background:

DNA-stabilized silver clusters exhibit unique optoelectronic properties.
Understanding energy transfer and electron dynamics is crucial for novel molecular devices.

Purpose of the Study:

To investigate fluorescence resonant energy transfer and electron dynamics in coupled DNA-silver clusters.
To develop a simulation methodology for collective optoelectronic properties of molecular aggregates.
To explore the potential of these systems for ultrasmall energy transmission lines and optical converters.

Main Methods:

First-principles quantum chemistry simulations.
Methodology for simulating collective optoelectronic properties of coupled molecular aggregates.
Analysis of coupled excitonic states and energy transport.

Main Results:

Existence of low-energy coupled excitonic states enabling ultrafast energy transport.
Insight into the origin of the fluorescence signal in coupled DNA-stabilized silver clusters.
Demonstration of potential for ultrasmall energy transmission lines and optical converters.

Conclusions:

Coupled DNA-silver clusters facilitate ultrafast energy transport.
The developed simulation methodology is applicable to various coupled molecular systems.
Hybrid molecular systems offer a pathway towards advanced nanoscale optical and energy devices.