Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters

Autores
de Lara Castells, María Pilar; Hauser, Andreas W.; Ramallo Lopez, Jose Martin; Buceta, David; Giovanetti, Lisandro Jose; López Quintela, Arturo; Requejo, Felix Gregorio
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The decoration of semiconductors with subnanometer-sized clusters of metal atoms can have a strong impact on the optical properties of the support. The changes induced differ greatly from effects known for their well-studied, metallic counterparts in the nanometer range. In this work, we study the deposition of Cu5 clusters on a TiO2 surface and investigate their influence on the photon-absorption properties of TiO2 nanoparticles via the computational modeling of a decorated rutile TiO2 (110) surface. Our findings are further supported by selected experiments using diffuse reflectance and X-ray absorption spectroscopy. The Cu5 cluster donates an electron to TiO2, leading to the formation of a small polaron Ti3+ 3d1 state and depopulation of Cu(3d) orbitals, successfully explaining the absorption spectroscopy measurements at the K-edge of copper. A monolayer of highly stable and well fixated Cu5 clusters is formed, which not only enhances the overall absorption, but also extends the absorption profile into the visible region of the solar spectrum via direct photo-induced electron transfer and formation of a charge-separated state.
Fil: de Lara Castells, María Pilar. Instituto de Física Fundamental; España. Consejo Superior de Investigaciones Científicas; España
Fil: Hauser, Andreas W.. Graz University Of Technology.; Austria
Fil: Ramallo Lopez, Jose Martin. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: Buceta, David. Universidad de Santiago de Compostela; España
Fil: Giovanetti, Lisandro Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: López Quintela, Arturo. Universidad de Santiago de Compostela; España
Fil: Requejo, Felix Gregorio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Materia
AQC
XANES
SEMICUNDUCTORS
TIO2
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/118846
Acceder
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clustersde Lara Castells, María PilarHauser, Andreas W.Ramallo Lopez, Jose MartinBuceta, DavidGiovanetti, Lisandro JoseLópez Quintela, ArturoRequejo, Felix GregorioAQCXANESSEMICUNDUCTORSTIO2https://purl.org/becyt/ford/2.10https://purl.org/becyt/ford/2The decoration of semiconductors with subnanometer-sized clusters of metal atoms can have a strong impact on the optical properties of the support. The changes induced differ greatly from effects known for their well-studied, metallic counterparts in the nanometer range. In this work, we study the deposition of Cu5 clusters on a TiO2 surface and investigate their influence on the photon-absorption properties of TiO2 nanoparticles via the computational modeling of a decorated rutile TiO2 (110) surface. Our findings are further supported by selected experiments using diffuse reflectance and X-ray absorption spectroscopy. The Cu5 cluster donates an electron to TiO2, leading to the formation of a small polaron Ti3+ 3d1 state and depopulation of Cu(3d) orbitals, successfully explaining the absorption spectroscopy measurements at the K-edge of copper. A monolayer of highly stable and well fixated Cu5 clusters is formed, which not only enhances the overall absorption, but also extends the absorption profile into the visible region of the solar spectrum via direct photo-induced electron transfer and formation of a charge-separated state.Fil: de Lara Castells, María Pilar. Instituto de Física Fundamental; España. Consejo Superior de Investigaciones Científicas; EspañaFil: Hauser, Andreas W.. Graz University Of Technology.; AustriaFil: Ramallo Lopez, Jose Martin. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; ArgentinaFil: Buceta, David. Universidad de Santiago de Compostela; EspañaFil: Giovanetti, Lisandro Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; ArgentinaFil: López Quintela, Arturo. Universidad de Santiago de Compostela; EspañaFil: Requejo, Felix Gregorio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; ArgentinaRoyal Society of Chemistry2019-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/118846de Lara Castells, María Pilar; Hauser, Andreas W.; Ramallo Lopez, Jose Martin; Buceta, David; Giovanetti, Lisandro Jose; et al.; Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters; Royal Society of Chemistry; Journal of Materials Chemistry A; 7; 13; 2-2019; 7489-75002050-74962050-7488CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlehtml/2019/ta/c9ta00994ainfo:eu-repo/semantics/altIdentifier/doi/10.1039/c9ta00994ainfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:21:21Zoai:ri.conicet.gov.ar:11336/118846instacron: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:34982025-09-10 13:21:21.536CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters
title Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters
spellingShingle Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters
de Lara Castells, María Pilar
AQC
XANES
SEMICUNDUCTORS
TIO2
title_short Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters
title_full Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters
title_fullStr Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters
title_full_unstemmed Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters
title_sort Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters
dc.creator.none.fl_str_mv de Lara Castells, María Pilar
Hauser, Andreas W.
Ramallo Lopez, Jose Martin
Buceta, David
Giovanetti, Lisandro Jose
López Quintela, Arturo
Requejo, Felix Gregorio
author de Lara Castells, María Pilar
author_facet de Lara Castells, María Pilar
Hauser, Andreas W.
Ramallo Lopez, Jose Martin
Buceta, David
Giovanetti, Lisandro Jose
López Quintela, Arturo
Requejo, Felix Gregorio
author_role author
author2 Hauser, Andreas W.
Ramallo Lopez, Jose Martin
Buceta, David
Giovanetti, Lisandro Jose
López Quintela, Arturo
Requejo, Felix Gregorio
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv AQC
XANES
SEMICUNDUCTORS
TIO2
topic AQC
XANES
SEMICUNDUCTORS
TIO2
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.10
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv The decoration of semiconductors with subnanometer-sized clusters of metal atoms can have a strong impact on the optical properties of the support. The changes induced differ greatly from effects known for their well-studied, metallic counterparts in the nanometer range. In this work, we study the deposition of Cu5 clusters on a TiO2 surface and investigate their influence on the photon-absorption properties of TiO2 nanoparticles via the computational modeling of a decorated rutile TiO2 (110) surface. Our findings are further supported by selected experiments using diffuse reflectance and X-ray absorption spectroscopy. The Cu5 cluster donates an electron to TiO2, leading to the formation of a small polaron Ti3+ 3d1 state and depopulation of Cu(3d) orbitals, successfully explaining the absorption spectroscopy measurements at the K-edge of copper. A monolayer of highly stable and well fixated Cu5 clusters is formed, which not only enhances the overall absorption, but also extends the absorption profile into the visible region of the solar spectrum via direct photo-induced electron transfer and formation of a charge-separated state.
Fil: de Lara Castells, María Pilar. Instituto de Física Fundamental; España. Consejo Superior de Investigaciones Científicas; España
Fil: Hauser, Andreas W.. Graz University Of Technology.; Austria
Fil: Ramallo Lopez, Jose Martin. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: Buceta, David. Universidad de Santiago de Compostela; España
Fil: Giovanetti, Lisandro Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: López Quintela, Arturo. Universidad de Santiago de Compostela; España
Fil: Requejo, Felix Gregorio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
description The decoration of semiconductors with subnanometer-sized clusters of metal atoms can have a strong impact on the optical properties of the support. The changes induced differ greatly from effects known for their well-studied, metallic counterparts in the nanometer range. In this work, we study the deposition of Cu5 clusters on a TiO2 surface and investigate their influence on the photon-absorption properties of TiO2 nanoparticles via the computational modeling of a decorated rutile TiO2 (110) surface. Our findings are further supported by selected experiments using diffuse reflectance and X-ray absorption spectroscopy. The Cu5 cluster donates an electron to TiO2, leading to the formation of a small polaron Ti3+ 3d1 state and depopulation of Cu(3d) orbitals, successfully explaining the absorption spectroscopy measurements at the K-edge of copper. A monolayer of highly stable and well fixated Cu5 clusters is formed, which not only enhances the overall absorption, but also extends the absorption profile into the visible region of the solar spectrum via direct photo-induced electron transfer and formation of a charge-separated state.
publishDate 2019
dc.date.none.fl_str_mv 2019-02
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/11336/118846
de Lara Castells, María Pilar; Hauser, Andreas W.; Ramallo Lopez, Jose Martin; Buceta, David; Giovanetti, Lisandro Jose; et al.; Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters; Royal Society of Chemistry; Journal of Materials Chemistry A; 7; 13; 2-2019; 7489-7500
2050-7496
2050-7488
CONICET Digital
CONICET
url http://hdl.handle.net/11336/118846
identifier_str_mv de Lara Castells, María Pilar; Hauser, Andreas W.; Ramallo Lopez, Jose Martin; Buceta, David; Giovanetti, Lisandro Jose; et al.; Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters; Royal Society of Chemistry; Journal of Materials Chemistry A; 7; 13; 2-2019; 7489-7500
2050-7496
2050-7488
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlehtml/2019/ta/c9ta00994a
info:eu-repo/semantics/altIdentifier/doi/10.1039/c9ta00994a
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc/2.5/ar/
dc.format.none.fl_str_mv 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
_version_ 1842981171731890176
score 12.48226

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