Coherent exciton-vibrational dynamics and energy transfer in conjugated organics

Autores
Nelson, Tammie R.; Ondarse Alvarez, Dianelys; Oldani, Andres Nicolas; Rodríguez Hernández, Beatriz; Alfonso Hernandez, Laura; Galindo, Johan F.; Kleiman, Valeria D.; Fernández Alberti, Sebastián; Roitberg, Adrián; Tretiak, Sergei
Año de publicación
2018
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport in optoelectronic materials. Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems. Symmetries of the wavefunctions define a specific form of the non-adiabatic coupling that drives quantum transitions between excited states, leading to a collective asymmetric vibrational excitation coupled to the electronic system. This promotes periodic oscillatory evolution of the wavefunctions, preserving specific phase and amplitude relations across the ensemble of trajectories. The simple model proposed here explains the appearance of coherent exciton-vibrational dynamics due to non-adiabatic transitions, which is universal across multiple molecular systems. The observed relationships between electronic wavefunctions and the resulting functionalities allows us to understand, and potentially manipulate, excited state dynamics and energy transfer in molecular materials.
Fil: Nelson, Tammie R.. Los Alamos National Laboratory; Estados Unidos
Fil: Ondarse Alvarez, Dianelys. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; Argentina
Fil: Oldani, Andres Nicolas. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Rodríguez Hernández, Beatriz. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Alfonso Hernandez, Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; Argentina
Fil: Galindo, Johan F.. Universidad Nacional de Colombia; Colombia
Fil: Kleiman, Valeria D.. University of Florida; Estados Unidos
Fil: Fernández Alberti, Sebastián. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; Argentina
Fil: Roitberg, Adrián. University of Florida; Estados Unidos
Fil: Tretiak, Sergei. Los Alamos National Laboratory; Estados Unidos
Materia
NAESMD
ELECTRON VIBRATIONAL DYNAMICS
NON-ADIABATIC COUPLING
EXCITED STATES
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/96701
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/96701
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Coherent exciton-vibrational dynamics and energy transfer in conjugated organicsNelson, Tammie R.Ondarse Alvarez, DianelysOldani, Andres NicolasRodríguez Hernández, BeatrizAlfonso Hernandez, LauraGalindo, Johan F.Kleiman, Valeria D.Fernández Alberti, SebastiánRoitberg, AdriánTretiak, SergeiNAESMDELECTRON VIBRATIONAL DYNAMICSNON-ADIABATIC COUPLINGEXCITED STATEShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport in optoelectronic materials. Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems. Symmetries of the wavefunctions define a specific form of the non-adiabatic coupling that drives quantum transitions between excited states, leading to a collective asymmetric vibrational excitation coupled to the electronic system. This promotes periodic oscillatory evolution of the wavefunctions, preserving specific phase and amplitude relations across the ensemble of trajectories. The simple model proposed here explains the appearance of coherent exciton-vibrational dynamics due to non-adiabatic transitions, which is universal across multiple molecular systems. The observed relationships between electronic wavefunctions and the resulting functionalities allows us to understand, and potentially manipulate, excited state dynamics and energy transfer in molecular materials.Fil: Nelson, Tammie R.. Los Alamos National Laboratory; Estados UnidosFil: Ondarse Alvarez, Dianelys. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; ArgentinaFil: Oldani, Andres Nicolas. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Rodríguez Hernández, Beatriz. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Alfonso Hernandez, Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; ArgentinaFil: Galindo, Johan F.. Universidad Nacional de Colombia; ColombiaFil: Kleiman, Valeria D.. University of Florida; Estados UnidosFil: Fernández Alberti, Sebastián. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; ArgentinaFil: Roitberg, Adrián. University of Florida; Estados UnidosFil: Tretiak, Sergei. Los Alamos National Laboratory; Estados UnidosNature Publishing Group2018-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/96701Nelson, Tammie R.; Ondarse Alvarez, Dianelys; Oldani, Andres Nicolas; Rodríguez Hernández, Beatriz; Alfonso Hernandez, Laura; et al.; Coherent exciton-vibrational dynamics and energy transfer in conjugated organics; Nature Publishing Group; Nature Communications; 9; 1; 12-20182041-1723CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.nature.com/articles/s41467-018-04694-8info:eu-repo/semantics/altIdentifier/doi/10.1038/s41467-018-04694-8info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:08:15Zoai:ri.conicet.gov.ar:11336/96701instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 10:08:16.106CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Coherent exciton-vibrational dynamics and energy transfer in conjugated organics
title Coherent exciton-vibrational dynamics and energy transfer in conjugated organics
spellingShingle Coherent exciton-vibrational dynamics and energy transfer in conjugated organics
Nelson, Tammie R.
NAESMD
ELECTRON VIBRATIONAL DYNAMICS
NON-ADIABATIC COUPLING
EXCITED STATES
title_short Coherent exciton-vibrational dynamics and energy transfer in conjugated organics
title_full Coherent exciton-vibrational dynamics and energy transfer in conjugated organics
title_fullStr Coherent exciton-vibrational dynamics and energy transfer in conjugated organics
title_full_unstemmed Coherent exciton-vibrational dynamics and energy transfer in conjugated organics
title_sort Coherent exciton-vibrational dynamics and energy transfer in conjugated organics
dc.creator.none.fl_str_mv Nelson, Tammie R.
Ondarse Alvarez, Dianelys
Oldani, Andres Nicolas
Rodríguez Hernández, Beatriz
Alfonso Hernandez, Laura
Galindo, Johan F.
Kleiman, Valeria D.
Fernández Alberti, Sebastián
Roitberg, Adrián
Tretiak, Sergei
author Nelson, Tammie R.
author_facet Nelson, Tammie R.
Ondarse Alvarez, Dianelys
Oldani, Andres Nicolas
Rodríguez Hernández, Beatriz
Alfonso Hernandez, Laura
Galindo, Johan F.
Kleiman, Valeria D.
Fernández Alberti, Sebastián
Roitberg, Adrián
Tretiak, Sergei
author_role author
author2 Ondarse Alvarez, Dianelys
Oldani, Andres Nicolas
Rodríguez Hernández, Beatriz
Alfonso Hernandez, Laura
Galindo, Johan F.
Kleiman, Valeria D.
Fernández Alberti, Sebastián
Roitberg, Adrián
Tretiak, Sergei
author2_role author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv NAESMD
ELECTRON VIBRATIONAL DYNAMICS
NON-ADIABATIC COUPLING
EXCITED STATES
topic NAESMD
ELECTRON VIBRATIONAL DYNAMICS
NON-ADIABATIC COUPLING
EXCITED STATES
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport in optoelectronic materials. Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems. Symmetries of the wavefunctions define a specific form of the non-adiabatic coupling that drives quantum transitions between excited states, leading to a collective asymmetric vibrational excitation coupled to the electronic system. This promotes periodic oscillatory evolution of the wavefunctions, preserving specific phase and amplitude relations across the ensemble of trajectories. The simple model proposed here explains the appearance of coherent exciton-vibrational dynamics due to non-adiabatic transitions, which is universal across multiple molecular systems. The observed relationships between electronic wavefunctions and the resulting functionalities allows us to understand, and potentially manipulate, excited state dynamics and energy transfer in molecular materials.
Fil: Nelson, Tammie R.. Los Alamos National Laboratory; Estados Unidos
Fil: Ondarse Alvarez, Dianelys. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; Argentina
Fil: Oldani, Andres Nicolas. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Rodríguez Hernández, Beatriz. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Alfonso Hernandez, Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; Argentina
Fil: Galindo, Johan F.. Universidad Nacional de Colombia; Colombia
Fil: Kleiman, Valeria D.. University of Florida; Estados Unidos
Fil: Fernández Alberti, Sebastián. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; Argentina
Fil: Roitberg, Adrián. University of Florida; Estados Unidos
Fil: Tretiak, Sergei. Los Alamos National Laboratory; Estados Unidos
description Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport in optoelectronic materials. Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems. Symmetries of the wavefunctions define a specific form of the non-adiabatic coupling that drives quantum transitions between excited states, leading to a collective asymmetric vibrational excitation coupled to the electronic system. This promotes periodic oscillatory evolution of the wavefunctions, preserving specific phase and amplitude relations across the ensemble of trajectories. The simple model proposed here explains the appearance of coherent exciton-vibrational dynamics due to non-adiabatic transitions, which is universal across multiple molecular systems. The observed relationships between electronic wavefunctions and the resulting functionalities allows us to understand, and potentially manipulate, excited state dynamics and energy transfer in molecular materials.
publishDate 2018
dc.date.none.fl_str_mv 2018-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/96701
Nelson, Tammie R.; Ondarse Alvarez, Dianelys; Oldani, Andres Nicolas; Rodríguez Hernández, Beatriz; Alfonso Hernandez, Laura; et al.; Coherent exciton-vibrational dynamics and energy transfer in conjugated organics; Nature Publishing Group; Nature Communications; 9; 1; 12-2018
2041-1723
CONICET Digital
CONICET
url http://hdl.handle.net/11336/96701
identifier_str_mv Nelson, Tammie R.; Ondarse Alvarez, Dianelys; Oldani, Andres Nicolas; Rodríguez Hernández, Beatriz; Alfonso Hernandez, Laura; et al.; Coherent exciton-vibrational dynamics and energy transfer in conjugated organics; Nature Publishing Group; Nature Communications; 9; 1; 12-2018
2041-1723
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.nature.com/articles/s41467-018-04694-8
info:eu-repo/semantics/altIdentifier/doi/10.1038/s41467-018-04694-8
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Nature Publishing Group
publisher.none.fl_str_mv Nature Publishing Group
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.13397

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