Iranian Journal of Chemistry

Iranian Journal of Chemistry

Quantum Dynamic Study of Strong Coupling with Plasmonic Cavity

Document Type : Original Article

Authors
Zahra Jamshidi 1
Kimia kargar 2
1 Chemistry department, Sharif University of Technology
2 Chemistry Department, Sharif University of Technology, Tehran, Iran
10.22036/cr.2024.435944.1230
Abstract
Nanoparticles with plasmonic properties in the quantum electromagnetic field provide a useful platform for achieving strong coupling regimes between light and matter. Recently, the unique optical properties of these compounds have paved the way for applications in the field of quantum technologies. Plasmonic nanocavities can exhibit strong coupling with one or more molecules under specific conditions, generating the polaritonic hybrid states of light-matter at room temperature. This new state enables the transfer of energy and charge population between the state of molecule and light, and, making a suitable platform for engineering reaction pathways. In this study, to investigate the photophysical properties of molecules under the influence of plasmonic cavities, a Hermitian Hamiltonian model has been designed for plasmonic nanocavities. These calculations have been performed within the framework of time-dependent quantum dynamics using the Multiconfigurational Time-Dependent Hartree (MCTDH) approach. The required parameters for the Hamiltonian have been generated through first-principle quantum calculations. Finally, the effect of coupling strength of silver nanocavity with pyrazine molecule on the amount of non-radiative decay and electronic spectrum of pyrazine is investigated.

Graphical Abstract

Quantum Dynamic Study of Strong Coupling with Plasmonic Cavity
Keywords
Nanoplasmonic cavity
Quantum dynamics
Time-dependent Multi Configuration Hartree
Polarity and Quantum sensor

Subjects

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Iranian Journal of Chemistry
Volume 6, Issue 2 - Serial Number 11
December 2023
Pages 160-168

  • Receive Date 28 January 2024
  • Revise Date 19 April 2024
  • Accept Date 28 April 2024