Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110)

Autores
Fernández, Cynthia Carolina; Wechsler, Daniel; Rocha, Tulio C. R.; Steinrück, Hans-Peter; Lytken, Ole; Williams, Federico José
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We studied the adsorption geometry and bonding of mono- and tetraphosphonic-acid-functionalized tetraphenylporphyrin molecules on rutile TiO2(110) surfaces. The investigation was carried out by means of X-ray photoelectron spectroscopy and near edge X-ray absorption fine structure (NEXAFS) measurements. We found that the molecules bind covalently to the surface in a mixed monodentate and bidentate mode implying deprotonation of one or two phosphonate hydroxyl groups. Our NEXAFS data suggest that molecules containing one functional phosphonic acid group are on average tilted further away from the surface than molecules with four functional groups. The highest occupied electronic state of both molecules is in the band gap at 2.1 eV below the Fermi level. Our results demonstrate that the number of functional phosphonic acid groups determine the adsorption geometry of tetraphenylporphyrins.
Fil: Fernández, Cynthia Carolina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Wechsler, Daniel. Universitat Erlangen-Nuremberg; Alemania
Fil: Rocha, Tulio C. R.. Brazilian Center for Research on Energy and Materials ; Brasil
Fil: Steinrück, Hans-Peter. Universitat Erlangen-Nuremberg; Alemania
Fil: Lytken, Ole. Universitat Erlangen-Nuremberg; Alemania
Fil: Williams, Federico José. Universitat Erlangen-Nuremberg; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Materia
surface
porphyrin
NEXAFS
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:11336/123700
Acceder
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110)Fernández, Cynthia CarolinaWechsler, DanielRocha, Tulio C. R.Steinrück, Hans-PeterLytken, OleWilliams, Federico JosésurfaceporphyrinNEXAFShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We studied the adsorption geometry and bonding of mono- and tetraphosphonic-acid-functionalized tetraphenylporphyrin molecules on rutile TiO2(110) surfaces. The investigation was carried out by means of X-ray photoelectron spectroscopy and near edge X-ray absorption fine structure (NEXAFS) measurements. We found that the molecules bind covalently to the surface in a mixed monodentate and bidentate mode implying deprotonation of one or two phosphonate hydroxyl groups. Our NEXAFS data suggest that molecules containing one functional phosphonic acid group are on average tilted further away from the surface than molecules with four functional groups. The highest occupied electronic state of both molecules is in the band gap at 2.1 eV below the Fermi level. Our results demonstrate that the number of functional phosphonic acid groups determine the adsorption geometry of tetraphenylporphyrins.Fil: Fernández, Cynthia Carolina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Wechsler, Daniel. Universitat Erlangen-Nuremberg; AlemaniaFil: Rocha, Tulio C. R.. Brazilian Center for Research on Energy and Materials ; BrasilFil: Steinrück, Hans-Peter. Universitat Erlangen-Nuremberg; AlemaniaFil: Lytken, Ole. Universitat Erlangen-Nuremberg; AlemaniaFil: Williams, Federico José. Universitat Erlangen-Nuremberg; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaAmerican Chemical Society2019-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/123700Fernández, Cynthia Carolina; Wechsler, Daniel; Rocha, Tulio C. R.; Steinrück, Hans-Peter; Lytken, Ole; et al.; Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110); American Chemical Society; Journal of Physical Chemistry C; 123; 17; 5-2019; 10974-109801932-7447CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcc.9b01019info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:25:09Zoai:ri.conicet.gov.ar:11336/123700instacron: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:34982025-10-15 14:25:09.819CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110)
title Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110)
spellingShingle Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110)
Fernández, Cynthia Carolina
surface
porphyrin
NEXAFS
title_short Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110)
title_full Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110)
title_fullStr Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110)
title_full_unstemmed Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110)
title_sort Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110)
dc.creator.none.fl_str_mv Fernández, Cynthia Carolina
Wechsler, Daniel
Rocha, Tulio C. R.
Steinrück, Hans-Peter
Lytken, Ole
Williams, Federico José
author Fernández, Cynthia Carolina
author_facet Fernández, Cynthia Carolina
Wechsler, Daniel
Rocha, Tulio C. R.
Steinrück, Hans-Peter
Lytken, Ole
Williams, Federico José
author_role author
author2 Wechsler, Daniel
Rocha, Tulio C. R.
Steinrück, Hans-Peter
Lytken, Ole
Williams, Federico José
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv surface
porphyrin
NEXAFS
topic surface
porphyrin
NEXAFS
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 studied the adsorption geometry and bonding of mono- and tetraphosphonic-acid-functionalized tetraphenylporphyrin molecules on rutile TiO2(110) surfaces. The investigation was carried out by means of X-ray photoelectron spectroscopy and near edge X-ray absorption fine structure (NEXAFS) measurements. We found that the molecules bind covalently to the surface in a mixed monodentate and bidentate mode implying deprotonation of one or two phosphonate hydroxyl groups. Our NEXAFS data suggest that molecules containing one functional phosphonic acid group are on average tilted further away from the surface than molecules with four functional groups. The highest occupied electronic state of both molecules is in the band gap at 2.1 eV below the Fermi level. Our results demonstrate that the number of functional phosphonic acid groups determine the adsorption geometry of tetraphenylporphyrins.
Fil: Fernández, Cynthia Carolina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Wechsler, Daniel. Universitat Erlangen-Nuremberg; Alemania
Fil: Rocha, Tulio C. R.. Brazilian Center for Research on Energy and Materials ; Brasil
Fil: Steinrück, Hans-Peter. Universitat Erlangen-Nuremberg; Alemania
Fil: Lytken, Ole. Universitat Erlangen-Nuremberg; Alemania
Fil: Williams, Federico José. Universitat Erlangen-Nuremberg; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
description We studied the adsorption geometry and bonding of mono- and tetraphosphonic-acid-functionalized tetraphenylporphyrin molecules on rutile TiO2(110) surfaces. The investigation was carried out by means of X-ray photoelectron spectroscopy and near edge X-ray absorption fine structure (NEXAFS) measurements. We found that the molecules bind covalently to the surface in a mixed monodentate and bidentate mode implying deprotonation of one or two phosphonate hydroxyl groups. Our NEXAFS data suggest that molecules containing one functional phosphonic acid group are on average tilted further away from the surface than molecules with four functional groups. The highest occupied electronic state of both molecules is in the band gap at 2.1 eV below the Fermi level. Our results demonstrate that the number of functional phosphonic acid groups determine the adsorption geometry of tetraphenylporphyrins.
publishDate 2019
dc.date.none.fl_str_mv 2019-05
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/11336/123700
Fernández, Cynthia Carolina; Wechsler, Daniel; Rocha, Tulio C. R.; Steinrück, Hans-Peter; Lytken, Ole; et al.; Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110); American Chemical Society; Journal of Physical Chemistry C; 123; 17; 5-2019; 10974-10980
1932-7447
CONICET Digital
CONICET
url http://hdl.handle.net/11336/123700
identifier_str_mv Fernández, Cynthia Carolina; Wechsler, Daniel; Rocha, Tulio C. R.; Steinrück, Hans-Peter; Lytken, Ole; et al.; Adsorption of Phosphonic-Acid-Functionalized Porphyrin Molecules on TiO2(110); American Chemical Society; Journal of Physical Chemistry C; 123; 17; 5-2019; 10974-10980
1932-7447
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcc.9b01019
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
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
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_ 1846082682349420544
score 13.22299

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