Hybrid theoretical models for molecular nanoplasmonics

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

Document type :

Article dans une revue scientifique: Article original

DOI :

10.1063/5.0027935

PMID :

33261492

Permalink :

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

Title :

Hybrid theoretical models for molecular nanoplasmonics

Author(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]

Journal title :

Journal of Chemical Physics

Abbreviated title :

J Chem Phys

Volume number :

153

Pages :

200901

Publication date :

2020-11-24

ISSN :

1089-7690

HAL domain(s) :

Chimie/Chimie théorique et/ou physique

English abstract : [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 ...
Show more >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.Show less >

Language :

Anglais

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

CNRS
Centrale Lille
ENSCL
Univ. Artois
Université de Lille

Collections :

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

Research team(s) :

Modélisation et spectroscopies (MODSPEC)

Submission date :

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

Version	Link	Modification date
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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