Effect of strains on the optical and magnetic properties of Ce-doped ZnO with O or Zn vacancies

Xu, Zhenming; Hou, Qingyu; Guo, Feng; Li, Yong; Liu, Yajing

doi:10.1007/s10853-020-04551-4

Cited by 12 publications

(2 citation statements)

References 36 publications

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“…The compressive strain widened band gap [37]. In addition, because of the Burstein-Moss effect also make the band gap widened [38]. The increase in the optical band gap brings it closer to the band gap width of p-type semiconductor materials and reaching better optical behavior for preparing ZnO heterostructured thin-film [39].…”

Section: Optical Propertiesmentioning

confidence: 99%

Crystal Structure and Optical Properties of ZnO:Ce Nano Film

Xin

2022

Molecules

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ZnO and cerium-doped ZnO on a glass substrate have been prepared by the sol–gel method using the spin coating technique and water bath growth process. Ce-doping concentration on film structure, morphology, and optical properties is investigated. The result indicated that the hexagonal wurtzite ZnO with high crystalline quality formed on the substrate. The crystal parameters a and c decreased, crystal size increased, and the compressive strain formed after Ce-doping. Formed un-, 3%, 6%, 12% Ce-doped ZnO film has a spherical shape with a size between 8.6–31, 14–52, 18–56, and 20–91 nm, respectively. All films had good absorption of 300–400 nm ultraviolet light, in particular, the absorption of near ultraviolet (370–400 nm) increased after doping of Ce. The transmittance of light between 400–800 nm decreased with Ce-doping concentration. The band gap energy increased after Ce-doping reaching better optical behavior for preparing ZnO heterostructured thin-film. All film emitted intense blue emission under 375 nm excitation at room temperature. This indicated the film can have application in optoelectronic devices.

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Section: Optical Propertiesmentioning

confidence: 99%

Crystal Structure and Optical Properties of ZnO:Ce Nano Film

Xin

2022

Molecules

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“…The exchange–correlation interaction in the generalized gradient approximation (GGA)+U method with Perdew, Burke, and Ernzerh of (PBE) function was used for geometry optimization and energy calculation [ 58 ]. The effective Hubbard U values 10 and 6 were used for Zn-3d and O-2p, respectively [ 59 ]. We adopted the same U value of O for N atom in Zn 8 N 1 O 7 .…”

Section: Methodsmentioning

confidence: 99%

A Highly Efficient and Stable Photocatalyst; N-Doped ZnO/CNT Composite Thin Film Synthesized via Simple Sol-Gel Drop Coating Method

et al. 2021

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The thin film of N-doped ZnO/CNT nanocomposite was successfully fabricated on soda lime glass substrate by a simple sol-gel drop-coating method. The structural, morphological, chemical, and optical properties of as prepared samples were characterized by a variety of tools such as X-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FE-SEM), Fourier Transform Infrared spectroscopy (FT-IR), and UV-visible spectroscopy. The hexagonal crystalline structure was confirmed from XRD measurement without any other impurity phase detection in samples. The N-doped ZnO/CNT composite showed excellent photo-catalytic activity towards cationic methylene blue (MB) dye degradation with 100% removal rate under UV light irradiation as compared to N-doped ZnO (65%) and pure ZnO (47.36%). The convincing performance has also been observed for the case of visible light irradiation. The enhancement of that photocatalytic activity might be due to narrowing the band gap as well as the reduction of electron–hole pair recombination in ZnO matrix with the incorporation of dopant nitrogen and CNT. It is assumed from the obtained results that N-doped ZnO/CNT nanocomposite thin film can be employed as an economically achievable and ecofriendly method to degrade dye with UV and visible light irradiation. Additionally, density functional theory (DFT) calculations were applied to explore the effect of N-doping on electronic structure of ZnO. The computational study has supported the experimental results of significant band gap contraction, which leads to the maximum absorption towards higher wavelength and no appreciable change of lattice parameters after doping. A conceivable photocatalytic mechanism of N-doped ZnO/CNT nanocomposite has been proposed as well.

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