Influence of structural disorder on the photocatalytic properties of ZnS nanocrystals prepared by the one-pot solvothermal approach
This 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...
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| Format: | Article |
| Language: | English |
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Universidade Estadual Paulista
2022-07-01
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| Series: | Eclética Química |
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| Online Access: | https://revista.iq.unesp.br/ojs/index.php/ecletica/article/view/1299 |
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| author | Victoria Gabriela Benatto Guilherme da Silva Lopes Fabris Julio Ricardo Sambrano Carlton Anthony Taft Felipe de Almeida La Porta |
| author_facet | Victoria Gabriela Benatto Guilherme da Silva Lopes Fabris Julio Ricardo Sambrano Carlton Anthony Taft Felipe de Almeida La Porta |
| author_sort | Victoria Gabriela Benatto |
| collection | DOAJ |
| description | This 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 (100), (110) 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. |
| first_indexed | 2024-04-13T13:42:44Z |
| format | Article |
| id | doaj.art-99c0d70e97fc46e4afe66506bb8cae95 |
| institution | Directory Open Access Journal |
| issn | 0100-4670 1678-4618 |
| language | English |
| last_indexed | 2024-04-13T13:42:44Z |
| publishDate | 2022-07-01 |
| publisher | Universidade Estadual Paulista |
| record_format | Article |
| series | Eclética Química |
| spelling | doaj.art-99c0d70e97fc46e4afe66506bb8cae952022-12-22T02:44:35ZengUniversidade Estadual PaulistaEclética Química0100-46701678-46182022-07-01473173110.26850/1678-4618eqj.v47.3.2022.p17-31337Influence of structural disorder on the photocatalytic properties of ZnS nanocrystals prepared by the one-pot solvothermal approachVictoria Gabriela Benatto0https://orcid.org/0000-0002-7673-0910Guilherme da Silva Lopes Fabris1https://orcid.org/0000-0002-0830-5787Julio Ricardo Sambrano2https://orcid.org/0000-0002-5217-7145Carlton Anthony Taft3https://orcid.org/0000-0002-6247-029XFelipe de Almeida La Porta4https://orcid.org/0000-0002-3062-3992Federal University of Technology of Paraná, Laboratory of Nanotechnology and Computational Chemistry, Londrina, Brazil.Federal University of Rio Grande do Norte, Department of Materials Engineering, Natal, Brazil. São Paulo State University, Modeling and Molecular Simulation Group, Bauru, Brazil.São Paulo State University, Modeling and Molecular Simulation Group, Bauru, Brazil.Brazilian Center of Physical Research, Rio de Janeiro, Brazil.Federal University of Technology of Paraná, Laboratory of Nanotechnology and Computational Chemistry, Londrina, Brazil. State University of Londrina, Post-Graduation Program in Chemistry, Londrina, Brazil.This 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 (100), (110) 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.https://revista.iq.unesp.br/ojs/index.php/ecletica/article/view/1299znsdensity functional theorysolvothermal processingphotocatalysis propertieselectronic structure |
| spellingShingle | Victoria Gabriela Benatto Guilherme da Silva Lopes Fabris Julio Ricardo Sambrano Carlton Anthony Taft Felipe de Almeida La Porta Influence of structural disorder on the photocatalytic properties of ZnS nanocrystals prepared by the one-pot solvothermal approach Eclética Química zns density functional theory solvothermal processing photocatalysis properties electronic structure |
| title | Influence of structural disorder on the photocatalytic properties of ZnS nanocrystals prepared by the one-pot solvothermal approach |
| title_full | Influence of structural disorder on the photocatalytic properties of ZnS nanocrystals prepared by the one-pot solvothermal approach |
| title_fullStr | Influence of structural disorder on the photocatalytic properties of ZnS nanocrystals prepared by the one-pot solvothermal approach |
| title_full_unstemmed | Influence of structural disorder on the photocatalytic properties of ZnS nanocrystals prepared by the one-pot solvothermal approach |
| title_short | Influence of structural disorder on the photocatalytic properties of ZnS nanocrystals prepared by the one-pot solvothermal approach |
| title_sort | influence of structural disorder on the photocatalytic properties of zns nanocrystals prepared by the one pot solvothermal approach |
| topic | zns density functional theory solvothermal processing photocatalysis properties electronic structure |
| url | https://revista.iq.unesp.br/ojs/index.php/ecletica/article/view/1299 |
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