New insights into the nature of the bandgap of CuGeO3 nanofibers: Synthesis, electronic structure, and optical and photocatalytic properties

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.contributorLaboratory of Nanotechnology and Computational Chemistry-
Autor(es): dc.contributorUFRN-
Autor(es): dc.contributorUniversidade de São Paulo (USP)-
Autor(es): dc.contributorUniversidade Estadual Paulista (Unesp)-
Autor(es): dc.contributorUniversidade Federal de São Carlos (UFSCar)-
Autor(es): dc.creatorSuzuki, V. Y.-
Autor(es): dc.creatorAmorin, L. H.C.-
Autor(es): dc.creatorde Paula, N. H.-
Autor(es): dc.creatorAlbuquerque, A. R.-
Autor(es): dc.creatorLi, M. Siu-
Autor(es): dc.creatorSambrano, J. R. [UNESP]-
Autor(es): dc.creatorLongo, E.-
Autor(es): dc.creatorLa Porta, F. A.-
Data de aceite: dc.date.accessioned2022-02-22T00:43:52Z-
Data de disponibilização: dc.date.available2022-02-22T00:43:52Z-
Data de envio: dc.date.issued2021-06-25-
Data de envio: dc.date.issued2021-06-25-
Data de envio: dc.date.issued2021-03-01-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.mtcomm.2020.101701-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/205263-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/205263-
Descrição: dc.descriptionThe influence of the surfactant on the physical properties of CuGeO3 (CGO) nanocrystals synthesized from a microwave-assisted hydrothermal method is discussed by a combination of experimental and theoretical approaches. Our results, however, revealed that the surfactant has a critical role in the stabilization of the desired orthorhombic CGO structure consist of many well-defined long nanofibers with a median diameter and the dispersion size of 9.1 nm and 3.7 nm, respectively. These findings confirm that these samples experimentally have a direct band gap (at about 2.74–2.93 eV) and also that the hybrid Heyd–Scuseria–Ernzerhof (HSE06) is the density functional most recommended for the computational simulations of these systems. All the synthesized materials presented a broad photoluminescence band centered at the blue region, with two characteristic emission peaks, at about 2.55 eV and 2.80 eV, respectively. Our champion catalyst (CGO (40 %)) degrades 50 % of the methylene blue solution for about 60 min.-
Descrição: dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)-
Descrição: dc.descriptionFundação Araucária-
Descrição: dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)-
Descrição: dc.descriptionFederal Technological University of Paraná Laboratory of Nanotechnology and Computational Chemistry, Avenida dos Pioneiros 3131-
Descrição: dc.descriptionInstitute of Chemistry Federal University of Rio Grande do Norte UFRN-
Descrição: dc.descriptionUniversity of São Paulo São Carlos Institute of Physics-
Descrição: dc.descriptionModeling and Molecular Simulation Group INCTMN-UNESP São Paulo State University-
Descrição: dc.descriptionINCTMN-UFSCar Federal University of São Carlos, P.O. Box 676-
Descrição: dc.descriptionModeling and Molecular Simulation Group INCTMN-UNESP São Paulo State University-
Descrição: dc.descriptionFAPESP: 2013/07296–2-
Descrição: dc.descriptionFAPESP: 2019/08928–9-
Idioma: dc.languageen-
Relação: dc.relationMaterials Today Communications-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectCuGeO3-
Palavras-chave: dc.subjectDFT-
Palavras-chave: dc.subjectMicrowave-assisted hydrothermal synthesis-
Palavras-chave: dc.subjectNanocrystal-
Palavras-chave: dc.subjectPhotoluminescence and photocatalytic properties-
Palavras-chave: dc.subjectQTAIM-
Título: dc.titleNew insights into the nature of the bandgap of CuGeO3 nanofibers: Synthesis, electronic structure, and optical and photocatalytic properties-
Tipo de arquivo: dc.typelivro digital-
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