Structural, electronic and optical properties of Cu-doped ZnO: experimental and theoretical investigation

Horzum, Şeyda; Torun, Engin; Seri̇n, Tülay; Peeters, F. M.

doi:10.1080/14786435.2016.1177224

Cited by 35 publications

(20 citation statements)

References 49 publications

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“…The spectra shows increase in absorption ability and red shift with humps as incorporation of Cu content from 1 to 5 mol%. It can be interpreted that there is the formation of new energy levels in the band gap thereby leading to spectral red shift . Therefore the red shift of Cu doped ZnO helps to electron transfer from Zn 3d to O 2p .…”

Section: Resultsmentioning

confidence: 99%

“…The computed band gap values are 3.13 for pure ZnO and 2.82, 2.76, 2.77 eV for 1, 3, and 5 mol% Cu doped ZnO respectively, that is, band gap decrease from 1 to 3 mol% and then again slightly increase with 5 mol% Cu dopant. The absorption edge in samples was related to the presence of the acceptor level, generated by Cu, over the valance band of ZnO …”

Section: Resultsmentioning

confidence: 99%

“…Until now, many researchers have reported the band gap widening and narrowing effect under different Cu doping concentrations. [6][7][8][9][10][11] This anomalous tuning in band gap by Cu doping is further investigated for better results and to use its various applications.…”

Section: Doi: 101002/masy201800192mentioning

confidence: 99%

“…It can be interpreted that there is the formation of new energy levels in the band gap thereby leading to spectral red shift. [7,13] Therefore the red shift of Cu doped ZnO helps to electron transfer from Zn3d to O2p. It is observed that the doping effect narrows or shrinks the band gap of ZnO as increasing Cu doping densities.…”

Section: Uv-vis Analysismentioning

confidence: 99%

“…The absorption edge in samples was related to the presence of the acceptor level, generated by Cu, over the valance band of ZnO. [7,14]…”

Section: Tauc Plotsmentioning

confidence: 99%

See 4 more Smart Citations

Effect of Cu Doping on Structural and Optical Properties of ZnO Nanoparticles Using Sol–Gel Method

Kumbhar

Salunke

et al. 2019

Macromolecular Symposia

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ZnO has large exciton binding energy (60 meV) and wide direct band gap (3.37 eV). It is a promising base materials for optoelectronics applications. To optimize its optical properties, Cu doped ZnO is synthesized by low cost sol–gel method and analyzed by X‐ray diffraction (XRD), scanning electron microscopy (SEM), and UV–vis spectroscopy. The XRD analysis reveals that the samples are polycrystalline with hexagonal wurtzite structure. It also indicates that there is no impurity peaks present in prepared samples and shows that the samples are stoichiometric. SEM images of Cu doping exhibit a slight variation in grain size. In addition, the absorption spectrum of pure and Cu doped ZnO nanoparticles (NPs) are studied and Tauc plots show band gap narrowing effect on Cu doping concentration to use it as advance material in diiferent devices.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Doi: 101002/masy201800192mentioning

confidence: 99%

Section: Uv-vis Analysismentioning

confidence: 99%

“…The absorption edge in samples was related to the presence of the acceptor level, generated by Cu, over the valance band of ZnO. [7,14]…”

Section: Tauc Plotsmentioning

confidence: 99%

See 3 more Smart Citations

Effect of Cu Doping on Structural and Optical Properties of ZnO Nanoparticles Using Sol–Gel Method

Kumbhar

Salunke

et al. 2019

Macromolecular Symposia

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Structural and Optical Properties of ZnO:Al Thin Films Produced by Magnetron Sputtering with Different Oxygen Flow: An Experimental and Ab Initio Study

Queiroz

Filho

Feitor

et al. 2020

Physica Status Solidi (a)

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This work addresses, in an experimental and theoretical way, the influence of different oxygen pressure values on the physical and electronic properties of thin conductive and transparent oxide films of Al‐doped ZnO, with different thicknesses. A series of characterization techniques, which include X‐ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), optical spectrophotometry, and Hall measurements are conducted. All films have a hexagonal wurtzite structure characteristic of ZnO, with preferential orientation along the plane (002) and transmittance values, in the visible range, greater than 80%. The increase in flow oxygen up to 25% provides an increase in the film's density resulting in a decrease in electrical resistivity from 9.58 × 10−3 Ω cm to 8.14 × 10−3 Ω cm. The ab initio calculations allow to observe the distortions in the microstructure of the films attributed to the presence of impurities and to obtain the values of the total and formation energies. The values of the Mulliken population and chemical bond length are notoriously influenced by the concentration of oxygen in the atmosphere. The displacement of the valence band (VB) and the Fermi level, together with the decrease in the gap energy, reinforce the influence of oxygen gas on the electronic structure of the films.

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B and Au doped ZnO and ZnO/Cu(111) bilayer films: A DFT investigation

Thang,

Tram,

Thong

et al. 2022

Vietnam Journal of Chemistry

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AbstractsThe structural and electronic properties of B and Au doped graphite‐like ZnO and ZnO/Cu(111) bilayer films have been investigated by using the DFT + U scheme including dispersion correction and compared to that of undoped materials. The differences in electronic properties of the B and Au doped ZnO and ZnO/Cu(111) films compared to undoped materials were probed by CO adsorption. The same oxidation state of B (+3) was observed for B doped ZnO and ZnO/Cu(111) bilayer films. However, an excess electron associated with B doping is delocalized over the conduction band of ZnO, while it transfers to underlying Cu support of ZnO/Cu(111). This is evidenced by a much large redshift of CO frequency on B doped ZnO versus the small redshift of CO frequency on B doped ZnO/Cu(111). At variance, the oxidation state of Au dopant was reduced from +2 (5d9) for Au doped ZnO to +1 (5d10) for Au doped ZnO/Cu(111) films. This is due to the charge transfer from Cu support to doped Au which results in the stronger binding of CO on Au doped ZnO/Cu(111) compared to ZnO bilayer films. However, a slight difference in CO frequency was found for CO bound to Au doped ZnO and ZnO/Cu(111).

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Structural, electronic and optical properties of Cu-doped ZnO: experimental and theoretical investigation

Cited by 35 publications

References 49 publications

Effect of Cu Doping on Structural and Optical Properties of ZnO Nanoparticles Using Sol–Gel Method

Effect of Cu Doping on Structural and Optical Properties of ZnO Nanoparticles Using Sol–Gel Method

Structural and Optical Properties of ZnO:Al Thin Films Produced by Magnetron Sputtering with Different Oxygen Flow: An Experimental and Ab Initio Study

B and Au doped ZnO and ZnO/Cu(111) bilayer films: A DFT investigation

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