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Hybrid theoretical models for molecular nanoplasmonics
E Coccia1, J Fregoni2, C A Guido3
1Dipartimento di Scienze Chimiche e Farmaceutiche, Universit di Trieste, via L. Giorgieri 1, 34127 Trieste, Italy.
The Journal of Chemical Physics
|December 2, 2020
Summary
Molecular nanoplasmonics uses nanostructures to control molecular light interactions. Hybrid modeling approaches are key to understanding complex phenomena in areas like catalysis and light harvesting.
Area of Science:
- Molecular nanoplasmonics, bridging molecular physics and nanoscience.
Background:
- Plasmonic nanostructures significantly influence molecular properties when interacting with light.
- Multidisciplinary research aims to understand and predict light-driven molecular phenomena at the nanoscale.
Purpose of the Study:
- To review current topics in molecular plasmonics, including light-harvesting systems, polaritonic chemistry, hot-carrier generation, and plasmon-enhanced catalysis.
- To discuss the benefits and challenges of using multiscale hybrid modeling for these phenomena.
Main Methods:
- Employing multiscale hybrid techniques to model both atomistic molecular details and collective plasmonic features.
- Focusing on theoretical descriptions and their application to specific areas of molecular plasmonics.
Main Results:
- Hybrid modeling provides reliable representations of complex molecular-plasmonic systems.
- Identified key challenges in applying these models to current research topics.
Conclusions:
- Multiscale hybrid approaches are essential for advancing the understanding and prediction of molecular plasmonic phenomena.
- Further theoretical development is needed to overcome existing challenges in the field.
