Role of Surfaces in the Magnetic and Ozone Gas-Sensing Properties of ZnFe2O4Nanoparticles: Theoretical and Experimental Insights

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Autor(es): dc.contributorUniversidade Estadual Paulista (Unesp)-
Autor(es): dc.contributorState University of Minas Gerais-
Autor(es): dc.contributorUniversidade Federal de São Carlos (UFSCar)-
Autor(es): dc.contributorFederal University of Rio Grande Do Norte-
Autor(es): dc.contributorState University of Ponta Grossa-
Autor(es): dc.creatorCristina De Oliveira, Regiane [UNESP]-
Autor(es): dc.creatorPontes Ribeiro, Renan Augusto-
Autor(es): dc.creatorCruvinel, Guilherme Henrique-
Autor(es): dc.creatorCiola Amoresi, Rafael Aparecido [UNESP]-
Autor(es): dc.creatorCarvalho, Maria Helena-
Autor(es): dc.creatorAparecido De Oliveira, Adilson Jesus-
Autor(es): dc.creatorCarvalho De Oliveira, Marisa-
Autor(es): dc.creatorRicardo De Lazaro, Sergio-
Autor(es): dc.creatorFernando Da Silva, Luís-
Autor(es): dc.creatorCatto, Ariadne Cristina-
Autor(es): dc.creatorSimões, Alexandre Zirpoli [UNESP]-
Autor(es): dc.creatorSambrano, Julio Ricardo [UNESP]-
Autor(es): dc.creatorLongo, Elson-
Data de aceite: dc.date.accessioned2022-02-22T00:53:10Z-
Data de disponibilização: dc.date.available2022-02-22T00:53:10Z-
Data de envio: dc.date.issued2021-06-25-
Data de envio: dc.date.issued2021-06-25-
Data de envio: dc.date.issued2021-01-26-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1021/acsami.0c15681-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/208348-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/208348-
Descrição: dc.descriptionThe magnetic properties and ozone (O3) gas-sensing activity of zinc ferrite (ZnFe2O4) nanoparticles (NPs) were discussed by the combination of the results acquired by experimental procedures and density functional theory simulations. The ZnFe2O4 NPs were synthesized via the microwave-assisted hydrothermal method by varying the reaction time in order to obtain ZnFe2O4 NPs with different exposed surfaces and evaluate the influence on its properties. Regardless of the reaction time employed in the synthesis, the zero-field-cooled and field-cooled magnetization measurements showed superparamagnetic ZnFe2O4 NPs with an average blocking temperature of 12 K. The (100), (110), (111), and (311) surfaces were computationally modeled, displaying the different undercoordinated surfaces. The good sensing activity of ZnFe2O4 NPs was discussed in relation to the presence of the (110) surface, which exhibited low (-0.69 eV) adsorption enthalpy, promoting reversibility and preventing the saturation of the sensor surface. Finally, the O3 gas-sensing mechanism could be explained based on the conduction changes of the ZnFe2O4 surface and the increase in the height of the electron-depletion layer upon exposure toward the target gas. The results obtained allowed us to propose a mechanism for understanding the relationship between the morphological changes and the magnetic and O3 gas-sensing properties of ZnFe2O4 NPs.-
Descrição: dc.descriptionModeling and Molecular Simulations Group São Paulo State University UNESP-
Descrição: dc.descriptionFaculty of Engineering of Guaratinguetá São Paulo State University UNESP-
Descrição: dc.descriptionDepartment of Chemistry State University of Minas Gerais, Av. Paraná, 3001-
Descrição: dc.descriptionFunctional Materials Development Center Federal University of São Carlos UFSCar-
Descrição: dc.descriptionPhysics Department Federal University of São Carlos (UFSCar), P.O. Box 676-
Descrição: dc.descriptionLSQM-Laboratory of Chemical Synthesis of Materials Department of Materials Engineering Federal University of Rio Grande Do Norte, P.O. Box 1524-
Descrição: dc.descriptionDepartment of Chemistry State University of Ponta Grossa, 4748 General Carlos Cavalcanti Avenue-
Descrição: dc.descriptionLaboratory of Nanostructured Multifunctional Materials Federal University of São Carlos, Washington Luiz Road, km 235-
Descrição: dc.descriptionModeling and Molecular Simulations Group São Paulo State University UNESP-
Descrição: dc.descriptionFaculty of Engineering of Guaratinguetá São Paulo State University UNESP-
Formato: dc.format4605-4617-
Idioma: dc.languageen-
Relação: dc.relationACS Applied Materials and Interfaces-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectmagnetism-
Palavras-chave: dc.subjectmicrowave hydrothermal-
Palavras-chave: dc.subjectnanoparticles-
Palavras-chave: dc.subjectO3,sensor-
Palavras-chave: dc.subjectZnFe2O4-
Título: dc.titleRole of Surfaces in the Magnetic and Ozone Gas-Sensing Properties of ZnFe2O4Nanoparticles: Theoretical and Experimental Insights-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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