Effect of Calcinations Temperature on Crystallography and Nanoparticles in ZnO Disk

Seetawan, Urai; Jugsujinda, Suwit; Seetawan, Tosawat; Ratchasin, Ackradate; Euvananont, Chanipat; Junin, Chabaipon; Thanachayanont, Chanchana; Chainaronk, Prasarn

doi:10.4236/msa.2011.29176

Cited by 58 publications

(50 citation statements)

References 14 publications

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“…The Zn-O bond length calculated is 1.9654 Å ; whereas the reported Zn-O bond length in the unit cell of ZnO and neighboring atoms is 1.9767 Å [20]. The calculated bond length agrees with the Zn-O bond length in the unit cell.…”

Section: Crystallite Size and Strainsupporting

confidence: 51%

Estimation of lattice strain in ZnO nanoparticles: X-ray peak profile analysis

2014

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ZnO nanoparticles were synthesized from chitosan and zinc chloride by a precipitation method. The synthesized ZnO nanoparticles were characterized by Fourier transform infrared spectroscopy, X-ray diffraction peak profile analysis, Scanning electron microscopy, Transmission electron microscopy and Photoluminescence. The X-ray diffraction results revealed that the sample was crystalline with a hexagonal wurtzite phase. We have investigated the crystallite development in ZnO nanoparticles by X-ray peak profile analysis. The Williamson-Hall analysis and size-strain plot were used to study the individual contributions of crystallite sizes and lattice strain e on the peak broadening of ZnO nanoparticles. The parameters including strain, stress and energy density value were calculated for all the reflection peaks of X-ray diffraction corresponding to wurtzite hexagonal phase of ZnO lying in the range 20°-80°using the modified form of Williamson-Hall plots and size-strain plot. The results showed that the crystallite size estimated from Scherrer's formula, Williamson-Hall plots and size-strain plot, and the particle size estimated from Transmission electron microscopy analysis are very much inter-correlated. Both methods, the X-ray diffraction and Transmission electron microscopy, provide less deviation between crystallite size and particle size in the present case.

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Section: Crystallite Size and Strainsupporting

confidence: 51%

Estimation of lattice strain in ZnO nanoparticles: X-ray peak profile analysis

2014

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“…1a. The results show that is two different Zn-O bond length within nanocluster: the short bond is 1.90 Å between two hexagons and long bond is 1.98 Å between a hexagon and a tetragon that is within the experimental data for Zn-O bonds [35,36] and earlier ab initio calculations [11][12][13].…”

Section: Computational Detailssupporting

confidence: 82%

A DFT study for adsorption of CO and H2 on Pt-doped ZnO nanocluster

et al. 2020

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Using density functional theory calculations, we studied structural, electronic and adsorption properties of CO and H 2 adsorption on the Pt-doped (ZnO) 12 nanoclusters. The more suitable position for the Pt atom is its lateral doping on the nanocluster surface. The lower energy gap for the Pt-doped (ZnO) 12 nanoclusters denotes that their conductivity is higher in comparison with the bare nanocluster. The results showed quite a reasonable increase in CO and H 2 gas molecules adsorption energies on the nanoclusters compared with the pristine (ZnO) 12 due to Pt doping. The sensitivity of the electronic and adsorption properties to the number of molecules was calculated as well. Upon CO adsorption on the Pt-doped (ZnO) 12 nanoclusters energy, it is better when no more than two molecules can be attached to one Pt atom, while H 2 adsorption provides at least three hydrogen molecules on Pt atom. Also, changes in electronic spectra of nanoclusters under the influence of adsorbed CO and H 2 molecules imply a decline in conductivity in such systems. These investigations proved that the Pt-doped (ZnO) 12 nanoclusters can be proposed as an approachable candidate in gas sensors for detecting CO and H 2 gas. Also, the calculation results of H 2 adsorption on Pt-doped (ZnO) 12 nanoclusters can help in consideration of the possibility of hydrogen storage media creation.

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“…L was found to be 1.95 Å, which is slightly lower than 1.9767 Å for bulk ZnO [36] and this may be a result of compressive strain on the film.…”

Section: Resultsmentioning

confidence: 71%

Synthesis and characterization of zinc oxide thin films for optoelectronic applications

Muchuweni

Sathiaraj

Nyakotyo

2017

Heliyon

206

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Micro-ring structured zinc oxide (ZnO) thin films were prepared on glass substrates by spray pyrolysis and their structural, morphological, optical and electrical properties were investigated. X-ray Diffraction (XRD) analysis revealed the films’ hexagonal wurtzite phase with a preferred (002) grain orientation. The mean crystallite size calculated on the basis of the Debye-Scherrer model was 24 nm and a small dislocation density of 1.7×10−3 nm−2 was obtained, indicating the existence of few lattice defects and good crystallinity. Scanning Electron Microscopy (SEM) micrographs revealed the film’s granular nature composed of rod-shaped and spherical nanoparticles which agglomerated to form micro-ring like film clusters on the film surface. The average transmittance in the visible region, optical band gap and Urbach energy were approximately 75–80%, 3.28 eV and 57 meV, respectively. The refractive index and extinction coefficient were determined using Swanepoel’s envelope method. Raman spectroscopy revealed the presence of small amounts of residual tensile stress and low density of defects in the ZnO thin films. This was consistent with XRD analysis. A low sheet resistivity (6.03×101 normalΩcm) and high figure of merit (4.35×10−6 Ω−1) were obtained for our films indicating their suitability in optoelectronic applications.

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Effect of Calcinations Temperature on Crystallography and Nanoparticles in ZnO Disk

Cited by 58 publications

References 14 publications

Estimation of lattice strain in ZnO nanoparticles: X-ray peak profile analysis

Estimation of lattice strain in ZnO nanoparticles: X-ray peak profile analysis

A DFT study for adsorption of CO and H2 on Pt-doped ZnO nanocluster

Synthesis and characterization of zinc oxide thin films for optoelectronic applications

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