Influence of structural disorder on the photocatalytic properties of ZnS nanocrystals prepared by the one-pot solvothermal approach

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.contributorLaboratory of Nanotechnology and Computational Chemistry-
Autor(es): dc.contributorFederal University of Rio Grande do Norte-
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorBrazilian Center of Physical Research-
Autor(es): dc.contributorUniversidade Estadual de Londrina (UEL)-
Autor(es): dc.creatorBenatto, Victoria Gabriela-
Autor(es): dc.creatorDa Silva Lopes Fabris, Guilherme-
Autor(es): dc.creatorSambrano, Julio Ricardo-
Autor(es): dc.creatorTaft, Carlton Anthony-
Autor(es): dc.creatorDe Almeida La Porta, Felipe-
Data de aceite: dc.date.accessioned2025-08-21T22:55:31Z-
Data de disponibilização: dc.date.available2025-08-21T22:55:31Z-
Data de envio: dc.date.issued2023-03-02-
Data de envio: dc.date.issued2023-03-02-
Data de envio: dc.date.issued2021-12-31-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.26850/1678-4618eqj.v47.3.2022.p17-31-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/242094-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/242094-
Descrição: dc.descriptionThis study focuses on the impact of the sulfur vacancies on the photocatalytic response of the ZnS nanocrystals synthesized by solvothermal method varying the concentration of zinc acetate/thiourea precursors. XRD patterns show that these samples have a hexagonal structure with different degrees of crystallinity, varying the crystallite size from 2.48 to 2.85 nm. The UV-Vis data reveals an absorption peak (at about 320 nm) characteristic of ZnS nanocrystals. As a result, a decrease in the bandgap value of these materials was observed from 3.78 to 3.62 eV. In principle, a comparison of these results and theoretical calculations reveals the formation of intermediate levels inside the bandgap due to structural polarization. These findings also corroborate the zeta potential measured for these samples, evidenced by an increase of positive charge of ZnS surfaces. Also, the low Miller-index surfaces, such as (101-0), (112-0) and (0001), were investigated by periodic density functional theory calculations, in nice agreement with the experimental data. A photocatalysis mechanism was investigated and confirmed the formation of reactive oxygen species.-
Descrição: dc.descriptionFederal University of Technology of Parana Laboratory of Nanotechnology and Computational Chemistry-
Descrição: dc.descriptionFederal University of Rio Grande do Norte Department of Materials Engineering-
Descrição: dc.descriptionSao Paulo State University Modeling and Molecular Simulation Group-
Descrição: dc.descriptionBrazilian Center of Physical Research-
Descrição: dc.descriptionState University of Londrina Post-Graduation Program in Chemistry-
Descrição: dc.descriptionSao Paulo State University Modeling and Molecular Simulation Group-
Formato: dc.format17-31-
Idioma: dc.languageen-
Relação: dc.relationEcletica Quimica-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectdensity functional theory-
Palavras-chave: dc.subjectelectronic structure-
Palavras-chave: dc.subjectphotocatalysis properties-
Palavras-chave: dc.subjectsolvothermal processing-
Palavras-chave: dc.subjectZnS-
Título: dc.titleInfluence of structural disorder on the photocatalytic properties of ZnS nanocrystals prepared by the one-pot solvothermal approach-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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