Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experiment

Autores
Amaral, D.C.; Desimone, Paula Mariela; Sanchez, Miguel Dario; Mazzei, M.; Carvalho, M.C.; Moura, F.; Macchi, Carlos Eugenio; Bezzon, V.D.N.; Simões, A.Z.; Laranjeira, J.A.S.; Rocha, L.S.R.; Longo, E.; Sambrano, J.R.; Ponce, M.A.
Año de publicación
2026
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
This work explores vanadium-doped CeO2 nanoparticles synthesized via microwave-assisted hydrothermal synthesis. Computational simulation demonstrated a change in the electron density due to the reduction of V5+/V4+ to V3+, which creates defect states near the Fermi level and superpolaron formation. This leads to spindependent electronic asymmetry and enhanced charge transport via Ce3+–O states. The resulting structure explains the increased conductivity and the inverted Arrhenius behavior observed under reducing conditions. Positron Annihilation Lifetime Spectroscopy revealed that V doping in CeO2 reduces both τ1 and τ2 lifetimes, indicating changes in the defect structure of the samples. The data suggests mixed positron annihilation in thedefective matrix and neutral vacancy-cation complexes. Vanadium doping further enhances conductivity across all atmospheres by introducing additional vacancies via the Ce4+ → V3+ substitution and thermal reduction. In summary, this study demonstrates that vanadium acts as a tunable redox center, coupled with atmospheredependent oxygen vacancy dynamics, enabling the maximization of CeO2 electrical conductivity under reducing conditions. These findings establish V-doped CeO2 as a highly promising material for advanced gassensing applications, particularly for CO detection, where performance is intrinsically linked to the interplay between the vanadium redox state, defect formation, and enhanced electronic transport.
Fil: Amaral, D.C.. Federal University Of Itajuba; Brasil
Fil: Desimone, Paula Mariela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Sanchez, Miguel Dario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Mazzei, M.. Federal University Of Itajuba; Brasil
Fil: Carvalho, M.C.. Federal University Of Itajuba; Brasil
Fil: Moura, F.. Federal University Of Itajuba; Brasil
Fil: Macchi, Carlos Eugenio. Universidad Nacional del Centro de la Provincia de Buenos Aires. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires. - Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires. - Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires; Argentina
Fil: Bezzon, V.D.N.. Federal University Of Ouro Preto; Brasil
Fil: Simões, A.Z.. Universidade Estadual Paulista Julio de Mesquita Filho; Brasil
Fil: Laranjeira, J.A.S.. Universidade Estadual Paulista Julio de Mesquita Filho; Brasil
Fil: Rocha, L.S.R.. Pontifical Catholic University Of Rio de Janeiro; Brasil
Fil: Longo, E.. Universidade Federal do São Carlos; Brasil
Fil: Sambrano, J.R.. Universidade Estadual Paulista Julio de Mesquita Filho; Brasil
Fil: Ponce, M.A.. Universidade Estadual Paulista Julio de Mesquita Filho; Brasil
Materia
VANADIUM DOPED CERIUM OXIDE
SEMICONDUCTORS
PALS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/289626
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experimentAmaral, D.C.Desimone, Paula MarielaSanchez, Miguel DarioMazzei, M.Carvalho, M.C.Moura, F.Macchi, Carlos EugenioBezzon, V.D.N.Simões, A.Z.Laranjeira, J.A.S.Rocha, L.S.R.Longo, E.Sambrano, J.R.Ponce, M.A.VANADIUM DOPED CERIUM OXIDESEMICONDUCTORSPALShttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2This work explores vanadium-doped CeO2 nanoparticles synthesized via microwave-assisted hydrothermal synthesis. Computational simulation demonstrated a change in the electron density due to the reduction of V5+/V4+ to V3+, which creates defect states near the Fermi level and superpolaron formation. This leads to spindependent electronic asymmetry and enhanced charge transport via Ce3+–O states. The resulting structure explains the increased conductivity and the inverted Arrhenius behavior observed under reducing conditions. Positron Annihilation Lifetime Spectroscopy revealed that V doping in CeO2 reduces both τ1 and τ2 lifetimes, indicating changes in the defect structure of the samples. The data suggests mixed positron annihilation in thedefective matrix and neutral vacancy-cation complexes. Vanadium doping further enhances conductivity across all atmospheres by introducing additional vacancies via the Ce4+ → V3+ substitution and thermal reduction. In summary, this study demonstrates that vanadium acts as a tunable redox center, coupled with atmospheredependent oxygen vacancy dynamics, enabling the maximization of CeO2 electrical conductivity under reducing conditions. These findings establish V-doped CeO2 as a highly promising material for advanced gassensing applications, particularly for CO detection, where performance is intrinsically linked to the interplay between the vanadium redox state, defect formation, and enhanced electronic transport.Fil: Amaral, D.C.. Federal University Of Itajuba; BrasilFil: Desimone, Paula Mariela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; ArgentinaFil: Sanchez, Miguel Dario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaFil: Mazzei, M.. Federal University Of Itajuba; BrasilFil: Carvalho, M.C.. Federal University Of Itajuba; BrasilFil: Moura, F.. Federal University Of Itajuba; BrasilFil: Macchi, Carlos Eugenio. Universidad Nacional del Centro de la Provincia de Buenos Aires. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires. - Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires. - Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires; ArgentinaFil: Bezzon, V.D.N.. Federal University Of Ouro Preto; BrasilFil: Simões, A.Z.. Universidade Estadual Paulista Julio de Mesquita Filho; BrasilFil: Laranjeira, J.A.S.. Universidade Estadual Paulista Julio de Mesquita Filho; BrasilFil: Rocha, L.S.R.. Pontifical Catholic University Of Rio de Janeiro; BrasilFil: Longo, E.. Universidade Federal do São Carlos; BrasilFil: Sambrano, J.R.. Universidade Estadual Paulista Julio de Mesquita Filho; BrasilFil: Ponce, M.A.. Universidade Estadual Paulista Julio de Mesquita Filho; BrasilElsevier Science SA2026-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/289626Amaral, D.C.; Desimone, Paula Mariela; Sanchez, Miguel Dario; Mazzei, M.; Carvalho, M.C.; et al.; Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experiment; Elsevier Science SA; Materials Chemistry and Physics; 358; 6-2026; 1-150254-0584CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0254058426003998info:eu-repo/semantics/altIdentifier/doi/10.1016/j.matchemphys.2026.132407info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-08-25T14:33:22Zoai:ri.conicet.gov.ar:11336/289626instacron: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:34982026-08-25 14:33:23.244CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experiment
title Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experiment
spellingShingle Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experiment
Amaral, D.C.
VANADIUM DOPED CERIUM OXIDE
SEMICONDUCTORS
PALS
title_short Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experiment
title_full Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experiment
title_fullStr Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experiment
title_full_unstemmed Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experiment
title_sort Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experiment
dc.creator.none.fl_str_mv Amaral, D.C.
Desimone, Paula Mariela
Sanchez, Miguel Dario
Mazzei, M.
Carvalho, M.C.
Moura, F.
Macchi, Carlos Eugenio
Bezzon, V.D.N.
Simões, A.Z.
Laranjeira, J.A.S.
Rocha, L.S.R.
Longo, E.
Sambrano, J.R.
Ponce, M.A.
author Amaral, D.C.
author_facet Amaral, D.C.
Desimone, Paula Mariela
Sanchez, Miguel Dario
Mazzei, M.
Carvalho, M.C.
Moura, F.
Macchi, Carlos Eugenio
Bezzon, V.D.N.
Simões, A.Z.
Laranjeira, J.A.S.
Rocha, L.S.R.
Longo, E.
Sambrano, J.R.
Ponce, M.A.
author_role author
author2 Desimone, Paula Mariela
Sanchez, Miguel Dario
Mazzei, M.
Carvalho, M.C.
Moura, F.
Macchi, Carlos Eugenio
Bezzon, V.D.N.
Simões, A.Z.
Laranjeira, J.A.S.
Rocha, L.S.R.
Longo, E.
Sambrano, J.R.
Ponce, M.A.
author2_role author
author
author
author
author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv VANADIUM DOPED CERIUM OXIDE
SEMICONDUCTORS
PALS
topic VANADIUM DOPED CERIUM OXIDE
SEMICONDUCTORS
PALS
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.5
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv This work explores vanadium-doped CeO2 nanoparticles synthesized via microwave-assisted hydrothermal synthesis. Computational simulation demonstrated a change in the electron density due to the reduction of V5+/V4+ to V3+, which creates defect states near the Fermi level and superpolaron formation. This leads to spindependent electronic asymmetry and enhanced charge transport via Ce3+–O states. The resulting structure explains the increased conductivity and the inverted Arrhenius behavior observed under reducing conditions. Positron Annihilation Lifetime Spectroscopy revealed that V doping in CeO2 reduces both τ1 and τ2 lifetimes, indicating changes in the defect structure of the samples. The data suggests mixed positron annihilation in thedefective matrix and neutral vacancy-cation complexes. Vanadium doping further enhances conductivity across all atmospheres by introducing additional vacancies via the Ce4+ → V3+ substitution and thermal reduction. In summary, this study demonstrates that vanadium acts as a tunable redox center, coupled with atmospheredependent oxygen vacancy dynamics, enabling the maximization of CeO2 electrical conductivity under reducing conditions. These findings establish V-doped CeO2 as a highly promising material for advanced gassensing applications, particularly for CO detection, where performance is intrinsically linked to the interplay between the vanadium redox state, defect formation, and enhanced electronic transport.
Fil: Amaral, D.C.. Federal University Of Itajuba; Brasil
Fil: Desimone, Paula Mariela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Sanchez, Miguel Dario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Mazzei, M.. Federal University Of Itajuba; Brasil
Fil: Carvalho, M.C.. Federal University Of Itajuba; Brasil
Fil: Moura, F.. Federal University Of Itajuba; Brasil
Fil: Macchi, Carlos Eugenio. Universidad Nacional del Centro de la Provincia de Buenos Aires. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires. - Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires. - Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires; Argentina
Fil: Bezzon, V.D.N.. Federal University Of Ouro Preto; Brasil
Fil: Simões, A.Z.. Universidade Estadual Paulista Julio de Mesquita Filho; Brasil
Fil: Laranjeira, J.A.S.. Universidade Estadual Paulista Julio de Mesquita Filho; Brasil
Fil: Rocha, L.S.R.. Pontifical Catholic University Of Rio de Janeiro; Brasil
Fil: Longo, E.. Universidade Federal do São Carlos; Brasil
Fil: Sambrano, J.R.. Universidade Estadual Paulista Julio de Mesquita Filho; Brasil
Fil: Ponce, M.A.. Universidade Estadual Paulista Julio de Mesquita Filho; Brasil
description This work explores vanadium-doped CeO2 nanoparticles synthesized via microwave-assisted hydrothermal synthesis. Computational simulation demonstrated a change in the electron density due to the reduction of V5+/V4+ to V3+, which creates defect states near the Fermi level and superpolaron formation. This leads to spindependent electronic asymmetry and enhanced charge transport via Ce3+–O states. The resulting structure explains the increased conductivity and the inverted Arrhenius behavior observed under reducing conditions. Positron Annihilation Lifetime Spectroscopy revealed that V doping in CeO2 reduces both τ1 and τ2 lifetimes, indicating changes in the defect structure of the samples. The data suggests mixed positron annihilation in thedefective matrix and neutral vacancy-cation complexes. Vanadium doping further enhances conductivity across all atmospheres by introducing additional vacancies via the Ce4+ → V3+ substitution and thermal reduction. In summary, this study demonstrates that vanadium acts as a tunable redox center, coupled with atmospheredependent oxygen vacancy dynamics, enabling the maximization of CeO2 electrical conductivity under reducing conditions. These findings establish V-doped CeO2 as a highly promising material for advanced gassensing applications, particularly for CO detection, where performance is intrinsically linked to the interplay between the vanadium redox state, defect formation, and enhanced electronic transport.
publishDate 2026
dc.date.none.fl_str_mv 2026-06
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/11336/289626
Amaral, D.C.; Desimone, Paula Mariela; Sanchez, Miguel Dario; Mazzei, M.; Carvalho, M.C.; et al.; Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experiment; Elsevier Science SA; Materials Chemistry and Physics; 358; 6-2026; 1-15
0254-0584
CONICET Digital
CONICET
url http://hdl.handle.net/11336/289626
identifier_str_mv Amaral, D.C.; Desimone, Paula Mariela; Sanchez, Miguel Dario; Mazzei, M.; Carvalho, M.C.; et al.; Linking defect structure to electrical behavior in vanadium-doped CeO2 films: Insights from theory and experiment; Elsevier Science SA; Materials Chemistry and Physics; 358; 6-2026; 1-15
0254-0584
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://linkinghub.elsevier.com/retrieve/pii/S0254058426003998
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.matchemphys.2026.132407
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science SA
publisher.none.fl_str_mv Elsevier Science SA
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 13.265058

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