Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films

Autores
Silva Rosa Rocha, Leandro; Schipani, Federico; Aldao, Celso Manuel; Cabral, Luís A.; Simoes, Alexandre Z.; Macchi, Carlos Eugenio; Marques, Gilmar Eugenio; Ponce, Miguel Adolfo; Longo, Elson
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Lanthanum-doped CeO2 is a promising semiconductor for gas sensing. A combined study applying impedance spectroscopy and first-principles calculations was performed for pure and lanthanum-doped samples. The results showed a strong influence of the localized Ce 4f states on the electrical conduction processes and an electrical resistance increase as a function of the exposure to vacuum and air atmospheres. After its modification with a rare-earth element along with exposure to reducing and oxidizing atmospheres, the observed behavior suggested the presence of multitraps, which depended on the described equilibrium between the oxygen vacancies (Vo x ↔ VO· ↔ VO· ) in a disordered deep-bulk trap location. According to the DFT results, the multitraps were formed with the creation of an oxygen vacancy far from the doping atom. They were considered to be responsible for the phenomena modifying the Debye-like response. The transfer of electrons from Ce(III) to the adsorbed oxygen species, decreasing the number of electrons in the 4f state, reduced the electrical conductivity by the hopping frequency dependence of the total resistance and capacitances. This was probably due to the interactions between defective oxygen and metallic species.
Fil: Silva Rosa Rocha, Leandro. Universidade Federal do São Carlos; Brasil
Fil: Schipani, Federico. 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: Aldao, Celso Manuel. 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: Cabral, Luís A.. Universidade Federal do São Carlos; Brasil
Fil: Simoes, Alexandre Z.. Faculdade de Engenharia de Guaratinguetá, Unesp; Brasil
Fil: Macchi, Carlos Eugenio. Universidad Nacional del Centro de la Provincia de Buenos Aires.. Facultad de Ciencias Exactas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Centro Cientifico Tecnologico Conicet - Tandil. Sede Tandil del Centro de Investigaciones En Fisica E Ingenieria del Centro de la Provincia de Buenos Aires.; Argentina
Fil: Marques, Gilmar Eugenio. Universidade Federal do São Carlos; Brasil
Fil: Ponce, Miguel Adolfo. 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: Longo, Elson. Universidade Federal do São Carlos; Brasil
Materia
CeO2
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:11336/120175
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/120175
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick FilmsSilva Rosa Rocha, LeandroSchipani, FedericoAldao, Celso ManuelCabral, Luís A.Simoes, Alexandre Z.Macchi, Carlos EugenioMarques, Gilmar EugenioPonce, Miguel AdolfoLongo, ElsonCeO2https://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Lanthanum-doped CeO2 is a promising semiconductor for gas sensing. A combined study applying impedance spectroscopy and first-principles calculations was performed for pure and lanthanum-doped samples. The results showed a strong influence of the localized Ce 4f states on the electrical conduction processes and an electrical resistance increase as a function of the exposure to vacuum and air atmospheres. After its modification with a rare-earth element along with exposure to reducing and oxidizing atmospheres, the observed behavior suggested the presence of multitraps, which depended on the described equilibrium between the oxygen vacancies (Vo x ↔ VO· ↔ VO· ) in a disordered deep-bulk trap location. According to the DFT results, the multitraps were formed with the creation of an oxygen vacancy far from the doping atom. They were considered to be responsible for the phenomena modifying the Debye-like response. The transfer of electrons from Ce(III) to the adsorbed oxygen species, decreasing the number of electrons in the 4f state, reduced the electrical conductivity by the hopping frequency dependence of the total resistance and capacitances. This was probably due to the interactions between defective oxygen and metallic species.Fil: Silva Rosa Rocha, Leandro. Universidade Federal do São Carlos; BrasilFil: Schipani, Federico. 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: Aldao, Celso Manuel. 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: Cabral, Luís A.. Universidade Federal do São Carlos; BrasilFil: Simoes, Alexandre Z.. Faculdade de Engenharia de Guaratinguetá, Unesp; BrasilFil: Macchi, Carlos Eugenio. Universidad Nacional del Centro de la Provincia de Buenos Aires.. Facultad de Ciencias Exactas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Centro Cientifico Tecnologico Conicet - Tandil. Sede Tandil del Centro de Investigaciones En Fisica E Ingenieria del Centro de la Provincia de Buenos Aires.; ArgentinaFil: Marques, Gilmar Eugenio. Universidade Federal do São Carlos; BrasilFil: Ponce, Miguel Adolfo. 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: Longo, Elson. Universidade Federal do São Carlos; BrasilAmerican Chemical Society2019-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/120175Silva Rosa Rocha, Leandro; Schipani, Federico; Aldao, Celso Manuel; Cabral, Luís A.; Simoes, Alexandre Z.; et al.; Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films; American Chemical Society; Journal of Physical Chemistry C; 124; 1; 12-2019; 997–10071932-7447CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.9b07217info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcc.9b07217info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:48:57Zoai:ri.conicet.gov.ar:11336/120175instacron: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 09:48:58.147CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films
title Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films
spellingShingle Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films
Silva Rosa Rocha, Leandro
CeO2
title_short Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films
title_full Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films
title_fullStr Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films
title_full_unstemmed Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films
title_sort Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films
dc.creator.none.fl_str_mv Silva Rosa Rocha, Leandro
Schipani, Federico
Aldao, Celso Manuel
Cabral, Luís A.
Simoes, Alexandre Z.
Macchi, Carlos Eugenio
Marques, Gilmar Eugenio
Ponce, Miguel Adolfo
Longo, Elson
author Silva Rosa Rocha, Leandro
author_facet Silva Rosa Rocha, Leandro
Schipani, Federico
Aldao, Celso Manuel
Cabral, Luís A.
Simoes, Alexandre Z.
Macchi, Carlos Eugenio
Marques, Gilmar Eugenio
Ponce, Miguel Adolfo
Longo, Elson
author_role author
author2 Schipani, Federico
Aldao, Celso Manuel
Cabral, Luís A.
Simoes, Alexandre Z.
Macchi, Carlos Eugenio
Marques, Gilmar Eugenio
Ponce, Miguel Adolfo
Longo, Elson
author2_role author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv CeO2
topic CeO2
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Lanthanum-doped CeO2 is a promising semiconductor for gas sensing. A combined study applying impedance spectroscopy and first-principles calculations was performed for pure and lanthanum-doped samples. The results showed a strong influence of the localized Ce 4f states on the electrical conduction processes and an electrical resistance increase as a function of the exposure to vacuum and air atmospheres. After its modification with a rare-earth element along with exposure to reducing and oxidizing atmospheres, the observed behavior suggested the presence of multitraps, which depended on the described equilibrium between the oxygen vacancies (Vo x ↔ VO· ↔ VO· ) in a disordered deep-bulk trap location. According to the DFT results, the multitraps were formed with the creation of an oxygen vacancy far from the doping atom. They were considered to be responsible for the phenomena modifying the Debye-like response. The transfer of electrons from Ce(III) to the adsorbed oxygen species, decreasing the number of electrons in the 4f state, reduced the electrical conductivity by the hopping frequency dependence of the total resistance and capacitances. This was probably due to the interactions between defective oxygen and metallic species.
Fil: Silva Rosa Rocha, Leandro. Universidade Federal do São Carlos; Brasil
Fil: Schipani, Federico. 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: Aldao, Celso Manuel. 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: Cabral, Luís A.. Universidade Federal do São Carlos; Brasil
Fil: Simoes, Alexandre Z.. Faculdade de Engenharia de Guaratinguetá, Unesp; Brasil
Fil: Macchi, Carlos Eugenio. Universidad Nacional del Centro de la Provincia de Buenos Aires.. Facultad de Ciencias Exactas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Centro Cientifico Tecnologico Conicet - Tandil. Sede Tandil del Centro de Investigaciones En Fisica E Ingenieria del Centro de la Provincia de Buenos Aires.; Argentina
Fil: Marques, Gilmar Eugenio. Universidade Federal do São Carlos; Brasil
Fil: Ponce, Miguel Adolfo. 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: Longo, Elson. Universidade Federal do São Carlos; Brasil
description Lanthanum-doped CeO2 is a promising semiconductor for gas sensing. A combined study applying impedance spectroscopy and first-principles calculations was performed for pure and lanthanum-doped samples. The results showed a strong influence of the localized Ce 4f states on the electrical conduction processes and an electrical resistance increase as a function of the exposure to vacuum and air atmospheres. After its modification with a rare-earth element along with exposure to reducing and oxidizing atmospheres, the observed behavior suggested the presence of multitraps, which depended on the described equilibrium between the oxygen vacancies (Vo x ↔ VO· ↔ VO· ) in a disordered deep-bulk trap location. According to the DFT results, the multitraps were formed with the creation of an oxygen vacancy far from the doping atom. They were considered to be responsible for the phenomena modifying the Debye-like response. The transfer of electrons from Ce(III) to the adsorbed oxygen species, decreasing the number of electrons in the 4f state, reduced the electrical conductivity by the hopping frequency dependence of the total resistance and capacitances. This was probably due to the interactions between defective oxygen and metallic species.
publishDate 2019
dc.date.none.fl_str_mv 2019-12
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/11336/120175
Silva Rosa Rocha, Leandro; Schipani, Federico; Aldao, Celso Manuel; Cabral, Luís A.; Simoes, Alexandre Z.; et al.; Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films; American Chemical Society; Journal of Physical Chemistry C; 124; 1; 12-2019; 997–1007
1932-7447
CONICET Digital
CONICET
url http://hdl.handle.net/11336/120175
identifier_str_mv Silva Rosa Rocha, Leandro; Schipani, Federico; Aldao, Celso Manuel; Cabral, Luís A.; Simoes, Alexandre Z.; et al.; Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films; American Chemical Society; Journal of Physical Chemistry C; 124; 1; 12-2019; 997–1007
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/url/https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.9b07217
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcc.9b07217
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
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score 13.13397

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