Theoretical Challenges in Polaritonic Chemistry.
Journal
ACS photonics
ISSN: 2330-4022
Titre abrégé: ACS Photonics
Pays: United States
ID NLM: 101634366
Informations de publication
Date de publication:
20 Apr 2022
20 Apr 2022
Historique:
received:
15
11
2021
revised:
01
02
2022
accepted:
02
02
2022
entrez:
28
4
2022
pubmed:
29
4
2022
medline:
29
4
2022
Statut:
ppublish
Résumé
Polaritonic chemistry exploits strong light-matter coupling between molecules and confined electromagnetic field modes to enable new chemical reactivities. In systems displaying this functionality, the choice of the cavity determines both the confinement of the electromagnetic field and the number of molecules that are involved in the process. While in wavelength-scale optical cavities the light-matter interaction is ruled by collective effects, plasmonic subwavelength nanocavities allow even single molecules to reach strong coupling. Due to these very distinct situations, a multiscale theoretical toolbox is then required to explore the rich phenomenology of polaritonic chemistry. Within this framework, each component of the system (molecules and electromagnetic modes) needs to be treated in sufficient detail to obtain reliable results. Starting from the very general aspects of light-molecule interactions in typical experimental setups, we underline the basic concepts that should be taken into account when operating in this new area of research. Building on these considerations, we then provide a map of the theoretical tools already available to tackle chemical applications of molecular polaritons at different scales. Throughout the discussion, we draw attention to both the successes and the challenges still ahead in the theoretical description of polaritonic chemistry.
Identifiants
pubmed: 35480492
doi: 10.1021/acsphotonics.1c01749
pmc: PMC9026242
doi:
Types de publication
Journal Article
Review
Langues
eng
Pagination
1096-1107Informations de copyright
© 2022 The Authors. Published by American Chemical Society.
Déclaration de conflit d'intérêts
The authors declare no competing financial interest.
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