Recent progress and approaches on the synthesis of Mn-doped zinc oxide nanoparticles: a theoretical and experimental investigation on the photocatalytic performance

Transition metal-doped semiconductors are promising to conduct the future of environmental remediation from photocatalysis. In this study, the role of Mn-doping on the structural, electronic, morphological, optical, and photocatalytic properties of the ZnO matrix was investigated combining experimen...

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Bibliographic Details
Published in:New journal of chemistry 2020-06, Vol.44 (21), p.885-8812
Main Authors: Silva, J. M. P, Andrade Neto, N. F, Oliveira, M. C, Ribeiro, R. A. P, de Lazaro, S. R, Gomes, Y. F, Paskocimas, C. A, Bomio, M. R. D, Motta, F. V
Format: Article
Language:English
Subjects:
Carrier mobility
Catalytic activity
Current carriers
Doping
Electronic structure
Manganese
Morphology
Nanoparticles
Optical properties
Perturbation
Photocatalysis
Structural analysis
Transition metals
Zinc oxide
Zinc oxides
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Summary:Transition metal-doped semiconductors are promising to conduct the future of environmental remediation from photocatalysis. In this study, the role of Mn-doping on the structural, electronic, morphological, optical, and photocatalytic properties of the ZnO matrix was investigated combining experimental and theoretical techniques. The Zn 1− x Mn x O ( x = 1, 2, 4, and 8 mol%) samples were obtained using the microwave-assisted hydrothermal (MAH) method, while DFT calculations were carried out to complement the experimental characterization. Structural analysis indicates that Mn-doped samples exhibit structural defects that govern their electronic structure, generating singular band-gap values attributed to the perturbation of electronic levels in the vicinity of the Fermi level. The morphological analysis indicates that the Mn doping modifies the morphology of the ZnO powders exhibiting rods, flower-like, and spherical shapes. From photocatalytic measurements, it was observed that Zn 1− x Mn x O ( x = 2 and 4 mol%) performs the best for dye degradation, which was associated with a new distribution of the electronic levels and charge carrier mobility. This combined approach was useful for interpreting the photocatalytic activity of Mn-doped ZnO. Connecting structural, morphological, and electronic features of ZnO:Mn, one improved photocatalyst for dye degradation complemented by DFT calculations.
ISSN:1144-0546
1369-9261
DOI:10.1039/d0nj01530j