Efficient Ni and Fe doping process in ZnO with enhanced photocatalytic activity: A theoretical and experimental investigation
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Otros documentos de la autoría: Lemos, Samantha; Lima Rezende, Thaís Karine de; Assis, Marcelo de; da Costa Romeiro, Fernanda; Alves Peixoto, Diego; de Oliveira Gomes, Eduardo; Marques Jacobsen, Gabriel; Daldin Teodoro, Marcio; Gracia, Lourdes; Ferrari, Jefferson; Longo, Elson; Andres, Juan; Lima, Renata C
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Mostrar el registro completo del ítemcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
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Título
Efficient Ni and Fe doping process in ZnO with enhanced photocatalytic activity: A theoretical and experimental investigationAutoría
Fecha de publicación
2022-08-01Editor
Elsevier Ltd.ISSN
0025-5408Cita bibliográfica
Lemos, Samantha Custódio Silva, et al. "Efficient Ni and Fe doping process in ZnO with enhanced photocatalytic activity: A theoretical and experimental investigation." Materials Research Bulletin 152 (2022): 111849.Tipo de documento
info:eu-repo/semantics/articleVersión
info:eu-repo/semantics/publishedVersionPalabras clave / Materias
Resumen
Zn1-xNixO and Zn1-xFexO structures were synthesized by the microwave-assisted hydrothermal method. The best
photocatalytic degradation of rhodamine B (RhB) and 4-nitrophenol (4-NP) were achieved by the Zn0.96Ni0.04 ... [+]
Zn1-xNixO and Zn1-xFexO structures were synthesized by the microwave-assisted hydrothermal method. The best
photocatalytic degradation of rhodamine B (RhB) and 4-nitrophenol (4-NP) were achieved by the Zn0.96Ni0.04O
and Zn0.99Fe0.01O. The specificity of each dopant showed significance in the positions of the impurity energy
levels, which ended up influencing the electron-hole separation and transport, as demonstrated by the photoluminescence emissions. The morphological analysis revealed that besides inhibiting the growth of particles, the
incorporation of dopant ions into the ZnO lattice triggered a nucleation process, consequently changing their
morphology. Density functional theory (DFT) calculations showed that the Fe3+ 3d orbitals generate energy
levels below the conduction band (CB) while for Ni2+, the levels were found to be spread in a broad energy range
above the valence band (VB). The synergistic effect of band gaps alteration, inhibition of electron-hole pair
recombination and appearance of new trapping energy sites justifies the superior photocatalytic activity. [-]
Publicado en
Materials Research Bulletin, Vol. 152 (august 2022)Entidad financiadora
Fundação de Amparo à Pesquisa do Estado de São Paulo | Fundação de Amparo à Pesquisa do Estado de Minas Gerais | Conselho Nacional de Desenvolvimento Cientifico e Tecnológico | Grupo de Materiais Inorgânicos do Triângulo (GMIT) | European Union-NextGenerationEU | Universitat Jaume I | Ministerio de Ciencia, Innovación y Universidades
Código del proyecto o subvención
FAPESP (2013/07296-2) | FAPEMIG (APQ-00988-13) | CNPq (166281/2017-4) | CNPq (164227/2020-2) | APQ-00330-14 | MGS/2021/21(UP2021-021) | UJI-B2019-30 | PGC2018094417-B-I00
Derechos de acceso
© 2022 Elsevier Ltd. All rights reserved.
info:eu-repo/semantics/openAccess
info:eu-repo/semantics/openAccess
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