Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexes

Autores
Marquez, Dalma Micaela; Sanchez, Cristian Gabriel
Año de publicación
2018
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We present a method based on a time-dependent self-consistent density functional tight-binding (TD-DFTB) approach, able to predict the quantum efficiency of the photoinjection process in a dye-TiO2 complex from a fully atomistic picture. We studied the process of charge transfer of three systems with different dyes: catechol (CAT), alizarin (ALZ) and FSD101. Each system was excited with lasers of different energies in the range of 300-2500 nm, studying the efficiency of the induced charge transfer process at the incident energies. We show that the perturbation can produce either hole transfer or electron transfer from the dye to the nanoparticle, therefore affecting the efficiency of the charge transfer in the solar cell when illuminated by broadband radiation.
Fil: Marquez, Dalma Micaela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Sanchez, Cristian Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Materia
QUANTUM DYNAMICS
DYE SENSITIZED SOLAR CELLS
ZINC OXIDE
PRHOTOINDUCED CHARGE TRANSFER
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:11336/85722
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexesMarquez, Dalma MicaelaSanchez, Cristian GabrielQUANTUM DYNAMICSDYE SENSITIZED SOLAR CELLSZINC OXIDEPRHOTOINDUCED CHARGE TRANSFERhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We present a method based on a time-dependent self-consistent density functional tight-binding (TD-DFTB) approach, able to predict the quantum efficiency of the photoinjection process in a dye-TiO2 complex from a fully atomistic picture. We studied the process of charge transfer of three systems with different dyes: catechol (CAT), alizarin (ALZ) and FSD101. Each system was excited with lasers of different energies in the range of 300-2500 nm, studying the efficiency of the induced charge transfer process at the incident energies. We show that the perturbation can produce either hole transfer or electron transfer from the dye to the nanoparticle, therefore affecting the efficiency of the charge transfer in the solar cell when illuminated by broadband radiation.Fil: Marquez, Dalma Micaela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Sanchez, Cristian Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaRoyal Society of Chemistry2018-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/85722Marquez, Dalma Micaela; Sanchez, Cristian Gabriel; Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexes; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 20; 41; 10-2018; 26280-262871463-90761463-9084CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1039/C8CP04625Einfo:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2018/CP/C8CP04625E#!divAbstractinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:51:01Zoai:ri.conicet.gov.ar:11336/85722instacron: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 09:51:01.354CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexes
title Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexes
spellingShingle Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexes
Marquez, Dalma Micaela
QUANTUM DYNAMICS
DYE SENSITIZED SOLAR CELLS
ZINC OXIDE
PRHOTOINDUCED CHARGE TRANSFER
title_short Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexes
title_full Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexes
title_fullStr Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexes
title_full_unstemmed Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexes
title_sort Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexes
dc.creator.none.fl_str_mv Marquez, Dalma Micaela
Sanchez, Cristian Gabriel
author Marquez, Dalma Micaela
author_facet Marquez, Dalma Micaela
Sanchez, Cristian Gabriel
author_role author
author2 Sanchez, Cristian Gabriel
author2_role author
dc.subject.none.fl_str_mv QUANTUM DYNAMICS
DYE SENSITIZED SOLAR CELLS
ZINC OXIDE
PRHOTOINDUCED CHARGE TRANSFER
topic QUANTUM DYNAMICS
DYE SENSITIZED SOLAR CELLS
ZINC OXIDE
PRHOTOINDUCED CHARGE TRANSFER
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We present a method based on a time-dependent self-consistent density functional tight-binding (TD-DFTB) approach, able to predict the quantum efficiency of the photoinjection process in a dye-TiO2 complex from a fully atomistic picture. We studied the process of charge transfer of three systems with different dyes: catechol (CAT), alizarin (ALZ) and FSD101. Each system was excited with lasers of different energies in the range of 300-2500 nm, studying the efficiency of the induced charge transfer process at the incident energies. We show that the perturbation can produce either hole transfer or electron transfer from the dye to the nanoparticle, therefore affecting the efficiency of the charge transfer in the solar cell when illuminated by broadband radiation.
Fil: Marquez, Dalma Micaela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Sanchez, Cristian Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
description We present a method based on a time-dependent self-consistent density functional tight-binding (TD-DFTB) approach, able to predict the quantum efficiency of the photoinjection process in a dye-TiO2 complex from a fully atomistic picture. We studied the process of charge transfer of three systems with different dyes: catechol (CAT), alizarin (ALZ) and FSD101. Each system was excited with lasers of different energies in the range of 300-2500 nm, studying the efficiency of the induced charge transfer process at the incident energies. We show that the perturbation can produce either hole transfer or electron transfer from the dye to the nanoparticle, therefore affecting the efficiency of the charge transfer in the solar cell when illuminated by broadband radiation.
publishDate 2018
dc.date.none.fl_str_mv 2018-10
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/11336/85722
Marquez, Dalma Micaela; Sanchez, Cristian Gabriel; Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexes; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 20; 41; 10-2018; 26280-26287
1463-9076
1463-9084
CONICET Digital
CONICET
url http://hdl.handle.net/11336/85722
identifier_str_mv Marquez, Dalma Micaela; Sanchez, Cristian Gabriel; Quantum efficiency of the photo-induced electronic transfer in dye-TiO2 complexes; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 20; 41; 10-2018; 26280-26287
1463-9076
1463-9084
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1039/C8CP04625E
info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2018/CP/C8CP04625E#!divAbstract
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
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
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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