Hybrid theoretical models for molecular nanoplasmonics

Coccia, E.; Fregoni, J.; Guido, C. A.; Marsili, M.; Pipolo, Silvio; Corni, Stefano

Type de document :

Article dans une revue scientifique: Article original

DOI :

10.1063/5.0027935

PMID :

33261492

URL permanente :

http://hdl.handle.net/20.500.12210/60542

Titre :

Hybrid theoretical models for molecular nanoplasmonics

Auteur(s) :

Coccia, E. [Auteur]
Università degli studi di Trieste = University of Trieste
Fregoni, J. [Auteur]
Università degli Studi di Modena e Reggio Emilia = University of Modena and Reggio Emilia [UNIMORE]
Guido, C. A. [Auteur]
Dipartimento di Scienze Chimiche [Padova]
Marsili, M. [Auteur]
Dipartimento di Scienze Chimiche [Padova]
Pipolo, Silvio [Auteur]

Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Corni, Stefano [Auteur]
Dipartimento di Scienze Chimiche [Padova]
Istituto Nanoscienze [Modena] [CNR NANO]

Titre de la revue :

Journal of Chemical Physics

Nom court de la revue :

J Chem Phys

Numéro :

153

Pagination :

200901

Date de publication :

2020-11-24

ISSN :

1089-7690

Discipline(s) HAL :

Chimie/Chimie théorique et/ou physique

Résumé en anglais : [en]

The multidisciplinary nature of the research in molecular nanoplasmonics, i.e., the use of plasmonic nanostructures to enhance, control, or suppress properties of molecules interacting with light, led to contributions from ...
Lire la suite >The multidisciplinary nature of the research in molecular nanoplasmonics, i.e., the use of plasmonic nanostructures to enhance, control, or suppress properties of molecules interacting with light, led to contributions from different theory communities over the years, with the aim of understanding, interpreting, and predicting the physical and chemical phenomena occurring at molecular- and nano-scale in the presence of light. Multiscale hybrid techniques, using a different level of description for the molecule and the plasmonic nanosystems, permit a reliable representation of the atomistic details and of collective features, such as plasmons, in such complex systems. Here, we focus on a selected set of topics of current interest in molecular plasmonics (control of electronic excitations in light-harvesting systems, polaritonic chemistry, hot-carrier generation, and plasmon-enhanced catalysis). We discuss how their description may benefit from a hybrid modeling approach and what are the main challenges for the application of such models. In doing so, we also provide an introduction to such models and to the selected topics, as well as general discussions on their theoretical descriptions.Lire moins >

Langue :

Anglais

Audience :

Internationale

Vulgarisation :

Non

Établissement(s) :

CNRS
Centrale Lille
ENSCL
Univ. Artois
Université de Lille

Collections :

Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181

Équipe(s) de recherche :

Modélisation et spectroscopies (MODSPEC)

Date de dépôt :

2022-03-02T07:13:06Z
2024-02-06T17:52:54Z

Numéro de version	Lien	Date de modification
2	20.500.12210/60542*	2024-02-06T17:49:43Z
1	20.500.12210/60542.1	2022-03-02T07:13:06Z

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