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dc.contributor.author
Bonilla, Valeria  
dc.contributor.author
Freixas Lemus, Victor Manuel  
dc.contributor.author
Fernández Alberti, Sebastián  
dc.contributor.author
Galindo, Johan Fabian  
dc.date.available
2024-07-11T11:00:19Z  
dc.date.issued
2023-04  
dc.identifier.citation
Bonilla, Valeria; Freixas Lemus, Victor Manuel; Fernández Alberti, Sebastián; Galindo, Johan Fabian; Impact of the core on the inter-branch exciton exchange in dendrimers; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 25; 17; 4-2023; 12097-12106  
dc.identifier.issn
1463-9076  
dc.identifier.uri
http://hdl.handle.net/11336/239589  
dc.description.abstract
Organic dendrimers with p conjugated systems are capable of capturing solar energy as a renewable source forhuman use. Nonetheless, further study regarding the relationship between the structure and the energy transfermechanism in these types of molecules is still necessary. In this work, nonadiabatic excited state moleculardynamics (NEXMD) were carried out to study the intra- and inter-branch exciton migration in two tetrabranched dendrimers, C(dSSB)4 and Ad(BuSSB)4, which differ in their respective carbon and adamantane core.Both systems undergo a ladder decay mechanism between excited states, with back-and-forth transitionsbetween S1 and S2. Despite presenting very similar absorption–emission spectra, differences in the photoinduced energy relaxation are observed. The size of the core impacts the inter-branch energy exchange andtransient exciton localization/delocalization, which ultimately condition the relative energy relaxation rates, beingfaster in Ad(BuSSB)4 with respect to C(dSSB)4. Nevertheless, the photoinduced processes lead to a progressivefinal exciton-self-trapping in one of the branches of both dendrimers, which is a desirable feature in organicphotovoltaic applications. Our results can inspire the design of more efficient dendrimers with the desiredmagnitude of inter-branch exciton exchange and localization/delocalization according to changes in their core.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Royal Society of Chemistry  
dc.rights
info:eu-repo/semantics/restrictedAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
nonadiabatic dynamics  
dc.subject
excited states  
dc.subject
dendrimers  
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica  
dc.subject.classification
Ciencias Químicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
Impact of the core on the inter-branch exciton exchange in dendrimers  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2024-07-10T12:51:43Z  
dc.journal.volume
25  
dc.journal.number
17  
dc.journal.pagination
12097-12106  
dc.journal.pais
Reino Unido  
dc.journal.ciudad
CAMBRIDGE  
dc.description.fil
Fil: Bonilla, Valeria. Universidad Nacional de Colombia; Colombia  
dc.description.fil
Fil: Freixas Lemus, Victor Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología. Area Química; Argentina  
dc.description.fil
Fil: Fernández Alberti, Sebastián. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología. Area Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina  
dc.description.fil
Fil: Galindo, Johan Fabian. Universidad Nacional de Colombia; Colombia  
dc.journal.title
Physical Chemistry Chemical Physics  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://xlink.rsc.org/?DOI=D2CP06009D  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/D2CP06009D