Theoretical advances in polariton chemistry and molecular cavity quantum electrodynamics

A Mandal, MAD Taylor, BM Weight… - Chemical …, 2023 - ACS Publications
When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called
polaritons, are formed due to quantum light–matter interactions. With the experimental …

Swinging between shine and shadow: Theoretical advances on thermally activated vibropolaritonic chemistry

JA Campos-Gonzalez-Angulo, YR Poh, M Du… - The Journal of …, 2023 - pubs.aip.org
Polariton chemistry has emerged as an appealing branch of synthetic chemistry that
promises mode selectivity and a cleaner approach to kinetic control. Of particular interest are …

Recent developments in Kramers' theory of reaction rates

E Pollak, S Miret‐Artés - ChemPhysChem, 2023 - Wiley Online Library
In this short review, we provide an update of recent developments in Kramers' theory of
reaction rates. After a brief introduction stressing the importance of this theory initially …

Resonance theory of vibrational strong coupling enhanced polariton chemistry and the role of photonic mode lifetime

W Ying, P Huo - Communications Materials, 2024 - nature.com
Recent experiments demonstrate polaritons under the vibrational strong coupling (VSC)
regime can modify chemical reactivity. Here, we present a complete theory of VSC-modified …

Investigating the collective nature of cavity-modified chemical kinetics under vibrational strong coupling

LP Lindoy, A Mandal, DR Reichman - Nanophotonics, 2024 - degruyter.com
In this paper, we develop quantum dynamical methods capable of treating the dynamics of
chemically reacting systems in an optical cavity in the vibrationally strong-coupling (VSC) …

Beyond cavity Born–Oppenheimer: On nonadiabatic coupling and effective ground state Hamiltonians in vibro-polaritonic chemistry

EW Fischer, P Saalfrank - Journal of Chemical Theory and …, 2023 - ACS Publications
The emerging field of vibro-polaritonic chemistry studies the impact of light–matter hybrid
states known as vibrational polaritons on chemical reactivity and molecular properties. Here …

Polaritonic Chemistry Enabled by Non‐Local Metasurfaces

F Verdelli, YC Wei, K Joseph… - Angewandte Chemie …, 2024 - Wiley Online Library
Vibrational strong coupling can modify chemical reaction pathways in unconventional ways.
Thus far, Fabry‐Perot cavities formed by pairs of facing mirrors have been mostly utilized to …

[HTML][HTML] Understanding the cavity Born–Oppenheimer approximation

MR Fiechter, JO Richardson - The Journal of Chemical Physics, 2024 - pubs.aip.org
Experiments have demonstrated that vibrational strong coupling between molecular
vibrations and light modes can significantly change molecular properties, such as ground …

Resonance theory of vibrational polariton chemistry at the normal incidence

W Ying, MAD Taylor, P Huo - Nanophotonics, 2024 - degruyter.com
We present a theory that explains the resonance effect of the vibrational strong coupling
(VSC) modified reaction rate constant at the normal incidence of a Fabry–Pérot (FP) cavity …

On the mechanism of polaritonic rate suppression from quantum transition paths

MC Anderson, EJ Woods, TP Fay… - The Journal of …, 2023 - ACS Publications
Polariton chemistry holds promise for facilitating mode-selective chemical reactions, but the
underlying mechanism behind the rate modifications observed under strong vibrational …