Manipulating nonadiabatic dynamics by plasmonic nanocavity

TL;DR

This paper investigates how plasmonic nanocavities can be used to control nonadiabatic molecular dynamics by leveraging enhanced light-matter interactions, with implications for chemical reactions and quantum technologies.

Contribution

It introduces a theoretical framework combining Floquet quantum master equations and surface hopping to analyze plasmonic effects on nonadiabatic processes.

Findings

Plasmonic nanocavities can significantly influence nonadiabatic transition rates.

Tuning plasmonic coupling enhances control over molecular dynamics.

The methods predict ultrafast electron and energy transfer processes.

Abstract

In recent years, plasmonic nanocavities have emerged as powerful tools for controlling and enhancing light-matter interactions at the nanoscale. This study explores the role of plasmonic nanocavities in manipulating nonadiabatic dynamics, particularly in systems where fast electronic transitions are crucial. By coupling molecular states to the plasmonic resonances of metallic nanocavities, we demonstrate that the local electromagnetic fields generated by plasmons can significantly influence the rates and pathways of nonadiabatic transitions, including electron transfer and excitation relaxation processes. Using the Floquet quantum master equation (FQME) and Floquet surface hopping (FSH) methods that we previously developed, we find that plasmonic nanocavities can enhance nonadiabatic effects by tuning the plasmonic coupling strength, the molecule-metal interaction strength, and the material properties. These approaches offer a new perspective for predicting molecular dynamics in ultrafast processes. Our findings pave the way for designing novel plasmonic devices capable of controlling electron and energy transfer in chemical reactions, optoelectronic applications, and quantum information processing.