Pure and Ni2O3-decorated CeO2 nanoparticles applied as CO gas sensor: Experimental and theoretical insights
Autor(a) principal: | |
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Data de Publicação: | 2022 |
Outros Autores: | , , , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.1016/j.ceramint.2022.01.286 http://hdl.handle.net/11449/234084 |
Resumo: | In the present work, the structural, morphological and electrical properties of CeO2 nanoparticles with spherical and rod-like morphologies and rods decorated with Ni2O3 were investigated. Morphological, structural and electronic analyses showed a relationship between the shape/size of particles and the respective surface types, number of carriers, density of vacancies and local structural atomic order, in addition to an influence on the electrical properties of the materials. Electrical analyses revealed that the rod-like morphology has a better CO sensor response than the spherical one. In order to complement and rationalize the experimental findings, simulations at the density functional theory (DFT) were carried out to investigate the two possible mechanisms (Langmuir˗Hinshelwood and Mars-Van Krevelen) acting on the CO adsorption process and elucidate the behavior of the sensor in heterojunction-type samples. |
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Pure and Ni2O3-decorated CeO2 nanoparticles applied as CO gas sensor: Experimental and theoretical insightsCeO2Electrical propertiesInterfacesSurfacesIn the present work, the structural, morphological and electrical properties of CeO2 nanoparticles with spherical and rod-like morphologies and rods decorated with Ni2O3 were investigated. Morphological, structural and electronic analyses showed a relationship between the shape/size of particles and the respective surface types, number of carriers, density of vacancies and local structural atomic order, in addition to an influence on the electrical properties of the materials. Electrical analyses revealed that the rod-like morphology has a better CO sensor response than the spherical one. In order to complement and rationalize the experimental findings, simulations at the density functional theory (DFT) were carried out to investigate the two possible mechanisms (Langmuir˗Hinshelwood and Mars-Van Krevelen) acting on the CO adsorption process and elucidate the behavior of the sensor in heterojunction-type samples.Centro Nacional de Pesquisa em Energia e MateriaisConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Laboratório Nacional de Luz SíncrotronMinistério da Ciência, Tecnologia, Inovações e ComunicaçõesFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Ministerio de Ciencia, Innovación y UniversidadesUniversitat Jaume ISchool of Engineering São Paulo State University – UNESP, GuaratinguetáDepartment of Analytical and Physical Chemistry University Jaume I (UJI)Modeling and Molecular Simulations Group Sao Paulo State University – UNESPFunctional Materials Development Center Federal University of São Carlos – UFSCar, São CarlosInstitute of Materials Science and Technology (INTEMA) University of Mar Del Plata and National Research Council (CONICET)Institute of Scientific and Technological Research in Electronics (ICYTE) University of Mar del Plata and National Research Council (CONICET) Juan B. Justo 4302School of Engineering São Paulo State University – UNESP, GuaratinguetáModeling and Molecular Simulations Group Sao Paulo State University – UNESPFAPESP: 2013/07296-2FAPESP: 2017/19143-7FAPESP: 2019/09296-6Laboratório Nacional de Luz Síncrotron: 24859Ministerio de Ciencia, Innovación y Universidades: PGC2018094417-B-I00Universitat Jaume I: UJI-B2019-30Universidade Estadual Paulista (UNESP)University Jaume I (UJI)Universidade Federal de São Carlos (UFSCar)University of Mar Del Plata and National Research Council (CONICET)University of Mar del Plata and National Research Council (CONICET) Juan B. Justo 4302Ciola Amoresi, Rafael Aparecido [UNESP]Cristina de Oliveira, Regiane [UNESP]Cichetto, LeonélioDesimone, Paula MarielaAldao, Celso ManuelPonce, Miguel AdolfoGracia, LourdesSambrano, Julio R. [UNESP]Longo, ElsonAndres, JuanSimões, Alexandre Zirpoli [UNESP]2022-05-01T13:11:38Z2022-05-01T13:11:38Z2022-01-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://dx.doi.org/10.1016/j.ceramint.2022.01.286Ceramics International.0272-8842http://hdl.handle.net/11449/23408410.1016/j.ceramint.2022.01.2862-s2.0-85123894936Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengCeramics Internationalinfo:eu-repo/semantics/openAccess2022-05-01T13:11:38Zoai:repositorio.unesp.br:11449/234084Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462022-05-01T13:11:38Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Pure and Ni2O3-decorated CeO2 nanoparticles applied as CO gas sensor: Experimental and theoretical insights |
title |
Pure and Ni2O3-decorated CeO2 nanoparticles applied as CO gas sensor: Experimental and theoretical insights |
spellingShingle |
Pure and Ni2O3-decorated CeO2 nanoparticles applied as CO gas sensor: Experimental and theoretical insights Ciola Amoresi, Rafael Aparecido [UNESP] CeO2 Electrical properties Interfaces Surfaces |
title_short |
Pure and Ni2O3-decorated CeO2 nanoparticles applied as CO gas sensor: Experimental and theoretical insights |
title_full |
Pure and Ni2O3-decorated CeO2 nanoparticles applied as CO gas sensor: Experimental and theoretical insights |
title_fullStr |
Pure and Ni2O3-decorated CeO2 nanoparticles applied as CO gas sensor: Experimental and theoretical insights |
title_full_unstemmed |
Pure and Ni2O3-decorated CeO2 nanoparticles applied as CO gas sensor: Experimental and theoretical insights |
title_sort |
Pure and Ni2O3-decorated CeO2 nanoparticles applied as CO gas sensor: Experimental and theoretical insights |
author |
Ciola Amoresi, Rafael Aparecido [UNESP] |
author_facet |
Ciola Amoresi, Rafael Aparecido [UNESP] Cristina de Oliveira, Regiane [UNESP] Cichetto, Leonélio Desimone, Paula Mariela Aldao, Celso Manuel Ponce, Miguel Adolfo Gracia, Lourdes Sambrano, Julio R. [UNESP] Longo, Elson Andres, Juan Simões, Alexandre Zirpoli [UNESP] |
author_role |
author |
author2 |
Cristina de Oliveira, Regiane [UNESP] Cichetto, Leonélio Desimone, Paula Mariela Aldao, Celso Manuel Ponce, Miguel Adolfo Gracia, Lourdes Sambrano, Julio R. [UNESP] Longo, Elson Andres, Juan Simões, Alexandre Zirpoli [UNESP] |
author2_role |
author author author author author author author author author author |
dc.contributor.none.fl_str_mv |
Universidade Estadual Paulista (UNESP) University Jaume I (UJI) Universidade Federal de São Carlos (UFSCar) University of Mar Del Plata and National Research Council (CONICET) University of Mar del Plata and National Research Council (CONICET) Juan B. Justo 4302 |
dc.contributor.author.fl_str_mv |
Ciola Amoresi, Rafael Aparecido [UNESP] Cristina de Oliveira, Regiane [UNESP] Cichetto, Leonélio Desimone, Paula Mariela Aldao, Celso Manuel Ponce, Miguel Adolfo Gracia, Lourdes Sambrano, Julio R. [UNESP] Longo, Elson Andres, Juan Simões, Alexandre Zirpoli [UNESP] |
dc.subject.por.fl_str_mv |
CeO2 Electrical properties Interfaces Surfaces |
topic |
CeO2 Electrical properties Interfaces Surfaces |
description |
In the present work, the structural, morphological and electrical properties of CeO2 nanoparticles with spherical and rod-like morphologies and rods decorated with Ni2O3 were investigated. Morphological, structural and electronic analyses showed a relationship between the shape/size of particles and the respective surface types, number of carriers, density of vacancies and local structural atomic order, in addition to an influence on the electrical properties of the materials. Electrical analyses revealed that the rod-like morphology has a better CO sensor response than the spherical one. In order to complement and rationalize the experimental findings, simulations at the density functional theory (DFT) were carried out to investigate the two possible mechanisms (Langmuir˗Hinshelwood and Mars-Van Krevelen) acting on the CO adsorption process and elucidate the behavior of the sensor in heterojunction-type samples. |
publishDate |
2022 |
dc.date.none.fl_str_mv |
2022-05-01T13:11:38Z 2022-05-01T13:11:38Z 2022-01-01 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.1016/j.ceramint.2022.01.286 Ceramics International. 0272-8842 http://hdl.handle.net/11449/234084 10.1016/j.ceramint.2022.01.286 2-s2.0-85123894936 |
url |
http://dx.doi.org/10.1016/j.ceramint.2022.01.286 http://hdl.handle.net/11449/234084 |
identifier_str_mv |
Ceramics International. 0272-8842 10.1016/j.ceramint.2022.01.286 2-s2.0-85123894936 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Ceramics International |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.source.none.fl_str_mv |
Scopus reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
institution |
UNESP |
reponame_str |
Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
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1797789658734657536 |