Enhanced Photocatalytic and Photoluminescence Properties Resulting from Type-I Band Alignment in the Zn2 GeO4/g-C3 N4 Nanocomposites

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Autor(es): dc.contributorFederal University of Technology—Paraná-
Autor(es): dc.contributorUniversidade Federal da Bahia (UFBA)-
Autor(es): dc.contributorFederal University of Rio Grande do Norte-
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorEindhoven University of Technology-
Autor(es): dc.contributorWeizmann Institute of Science-
Autor(es): dc.contributorUniversidade Estadual de Londrina (UEL)-
Autor(es): dc.creatorSuzuki, Victor Y.-
Autor(es): dc.creatorAmorin, Luis H. C.-
Autor(es): dc.creatorFabris, Guilherme S. L.-
Autor(es): dc.creatorDey, Swayandipta-
Autor(es): dc.creatorSambrano, Julio R.-
Autor(es): dc.creatorCohen, Hagai-
Autor(es): dc.creatorOron, Dan-
Autor(es): dc.creatorLa Porta, Felipe A.-
Data de aceite: dc.date.accessioned2025-08-21T21:39:41Z-
Data de disponibilização: dc.date.available2025-08-21T21:39:41Z-
Data de envio: dc.date.issued2023-03-01-
Data de envio: dc.date.issued2023-03-01-
Data de envio: dc.date.issued2022-07-01-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.3390/catal12070692-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/240328-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/240328-
Descrição: dc.descriptionWell-defined Zn2 GeO4/g-C3 N4 nanocomposites with a band alignment of type-I were prepared by the ultrasound-assisted solvent method, starting from g-C3 N4 nanosheets and incorporating 0, 10, 20, and 40 wt% of Zn2 GeO4. In this study, we have investigated in-depth the photoluminescence emission and photocatalytic activity of these nanocomposites. Our experimental results showed that an increased mass ratio of Zn2 GeO4 to g-C3 N4 can significantly improve their photoluminescence and photocatalytic responses. Additionally, we have noted that the broadband photoluminescence (PL) emission for these nanocomposites reveals three electronic transitions; the first two well-defined transitions (at ca. 450 nm and 488 nm) can be attributed to π* → lone pair (LP) and π* → π transitions of g-C3 N4, while the single shoulder at ca. 532 nm is due to the oxygen vacancy (Vo) as well as the hybridization of 4s and 4p orbital states in the Zn and Ge belonging to Zn2 GeO4. These experimental findings are also supported by theoretical calculations performed under periodic conditions based on the density functional theory (DFT) fragment. The theoretical findings for these nanocomposites sug-gest a possible strain-induced increase in the Zn-O bond length, as well as a shortening of the Ge-O bond of both tetrahedral [ZnO4] and [GeO4] clusters, respectively. Thus, this disordered structure promotes local polarization and a charge gradient in the Zn2 GeO4/g-C3 N4 interface that enable an efficient separation and transfer of the photoexcited charges. Finally, theoretical results show a good correlation with our experimental data.-
Descrição: dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)-
Descrição: dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)-
Descrição: dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)-
Descrição: dc.descriptionNanotechnology and Computational Chemistry Laboratory Federal University of Technology—Paraná, PR-
Descrição: dc.descriptionInstitute of Science Technology and Innovation Federal University of Bahia, BA-
Descrição: dc.descriptionDepartment of Materials Engineering Federal University of Rio Grande do Norte, RN-
Descrição: dc.descriptionModeling and Molecular Simulation Group São Paulo State University, SP-
Descrição: dc.descriptionDepartment of Applied Physics Institute for Complex Molecular Systems (ICMS) Eindhoven University of Technology, Postbus 513-
Descrição: dc.descriptionDepartment of Physics of Complex Systems Weizmann Institute of Science-
Descrição: dc.descriptionDepartment of Chemical Research Support Weizmann Institute of Science-
Descrição: dc.descriptionPost-Graduation Program in Chemistry State University of Londrina, PR-
Descrição: dc.descriptionModeling and Molecular Simulation Group São Paulo State University, SP-
Descrição: dc.descriptionFAPESP: 2013/07296-2-
Descrição: dc.descriptionFAPESP: 2019/08928-9-
Descrição: dc.descriptionFAPESP: 2022/03959-6-
Descrição: dc.descriptionCNPq: 307213/2021-8-
Descrição: dc.descriptionCAPES: 88887.467334/2019-00-
Idioma: dc.languageen-
Relação: dc.relationCatalysts-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectband alignment-
Palavras-chave: dc.subjectDFT calculations-
Palavras-chave: dc.subjectg-C3 N4/Zn2 GeO4-
Palavras-chave: dc.subjectnanocomposites-
Palavras-chave: dc.subjectoptical and photocatalytic properties-
Título: dc.titleEnhanced Photocatalytic and Photoluminescence Properties Resulting from Type-I Band Alignment in the Zn2 GeO4/g-C3 N4 Nanocomposites-
Tipo de arquivo: dc.typelivro digital-
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