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Quantum Chemistry
Photoprotecting uracil by coupling with lossy nanocavities
arXiv
Authors: Simone Felicetti, Jacopo Fregoni, Thomas Schnappinger, Sebastian Reiter, Regina de Vivie-Riedle, Johannes Feist
Year
2020
Paper ID
22210
Status
Preprint
Abstract Read
~2 min
Abstract Words
207
Citations
N/A
Abstract
We analyze how the photorelaxation dynamics of a molecule can be controlled by modifying its electromagnetic environment using a nanocavity mode. In particular, we consider the photorelaxation of the RNA nucleobase uracil, which is the natural mechanism to prevent photodamage. In our theoretical work, we identify the operative conditions in which strong coupling with the cavity mode can open an efficient photoprotective channel, resulting in a relaxation dynamics twice as fast than the natural one. We rely on a state-of-the-art chemically-detailed molecular model and a non-Hermitian Hamiltonian propagation approach to perform full-quantum simulations of the system dissipative dynamics. By focusing on the photon decay, our analysis unveils the active role played by cavity-induced dissipative processes in modifying chemical reaction rates, in the context of molecular polaritonics. Remarkably, we find that the photorelaxation efficiency is maximized when an optimal trade-off between light-matter coupling strength and photon decay rate is satisfied. This result is in contrast with the common intuition that increasing the quality factor of nanocavities and plasmonic devices improves their performance. Finally, we use a detailed model of a metal nanoparticle to show that the speedup of the uracil relaxation could be observed via coupling with a nanosphere pseudomode, without requiring the implementation of complex nanophotonic structures.
Why This Paper Matters
- This paper contributes to the Quantum Simulation research area in the Quantum Articles archive.
- It adds a 2020 reference point for readers tracking recent quantum research.
- We analyze how the photorelaxation dynamics of a molecule can be controlled by modifying its electromagnetic environment using a nanocavity mode.
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