Efficient Ni and Fe doping process in ZnO with enhanced photocatalytic activity: A theoretical and experimental investigation
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Title
Efficient Ni and Fe doping process in ZnO with enhanced photocatalytic activity: A theoretical and experimental investigationAuthor (s)
Date
2022-08-01Publisher
Elsevier Ltd.ISSN
0025-5408Bibliographic citation
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.Type
info:eu-repo/semantics/articleVersion
info:eu-repo/semantics/publishedVersionSubject
Abstract
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. [-]
Is part of
Materials Research Bulletin, Vol. 152 (august 2022)Funder Name
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
Project code
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
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© 2022 Elsevier Ltd. All rights reserved.
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