Morphological evolution and electronic alteration of ZnO nanomaterials induced by Ni/Fe co-doping

Fletcher, Cameron, Jiang, Yijiao, Sun, Chenghua and Amal, Rose (2014) Morphological evolution and electronic alteration of ZnO nanomaterials induced by Ni/Fe co-doping. Nanoscale, 6 13: 7312-7318. doi:10.1039/c4nr01058b


Author Fletcher, Cameron
Jiang, Yijiao
Sun, Chenghua
Amal, Rose
Title Morphological evolution and electronic alteration of ZnO nanomaterials induced by Ni/Fe co-doping
Journal name Nanoscale   Check publisher's open access policy
ISSN 2040-3372
2040-3364
Publication date 2014-07-07
Year available 2014
Sub-type Article (original research)
DOI 10.1039/c4nr01058b
Open Access Status Not Open Access
Volume 6
Issue 13
Start page 7312
End page 7318
Total pages 7
Place of publication Cambridge, United Kingdom
Publisher Royal Society of Chemistry
Collection year 2015
Language eng
Abstract Zinc oxide (ZnO) nanocrystals mono- and co-doped with nickel/iron were prepared using a facile solvothermal procedure. A significant change in the surface morphology from nanorods to plate-like nanoparticles was observed with an increase in the dopant concentration. The variations of their optical and electronic properties induced by metal dopants were investigated using a combination of characterization techniques and ab initio calculations. It is found that both nickel and iron atoms have been successfully incorporated into the crystal lattice rather than forming a secondary phase, suggesting good dispersion of dopants within the ZnO matrix. Doping with iron has red-shifted the absorption edges of ZnO towards the visible portion resulting in lower band gap energies with increasing dopant concentration. Evidenced by Raman and EPR spectroscopy, the addition of iron has been shown to promote the formation of more oxygen vacancy and crystal defects within the host lattice as well as increasing the free-electron density of the nanomaterial. The DFT plus Hubbard model calculations confirm that low concentration Ni-doping does not induce band gap narrowing but results in localized states. The calculations show that Fe-doping has the potential to greatly improve the optical absorption characteristics and lead to structural deformation, corroborating the UV-Vis, Raman, and EPR spectra.
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: Official 2015 Collection
Centre for Theoretical and Computational Molecular Science - Publications
 
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