Estimation of accurate size, lattice strain using Williamson-Hall models, SSP and TEM of Al doped ZnO nanocrystals

2018 ◽  
Vol 106 (6) ◽  
pp. 602 ◽  
Author(s):  
Milind Bodke ◽  
Umesh Gawai ◽  
Ashok Patil ◽  
Babasaheb Dole
Keyword(s):  
Energy Density ◽  
Crystallite Size ◽  
Lattice Strain ◽  
Average Crystallite Size ◽  
Physical Parameters ◽  
Deformation Model ◽  
Uniform Deformation ◽  
Zno Nanocrystals ◽  
Peak Broadening ◽  
Doped Zno

Hexagonal structure of pure and Al doped ZnO nanocrystals were synthesized by co-precipitation technique. The average crystallite size determined from XRD data using Debye Sherrer’s formula was found to be 16.8 nm for pure 19.3 nm for 4% Al Doped ZnO. High-resolution transmission electron microscopy (HR-TEM) showed single-crystal ZnO nanocrystals with nearly spherical shapes. The W-H analysis and size-strain plot were used to study the individual contributions of crystallite sizes and lattice strain “ε” on the peak broadening of pure and Al doped ZnO nanocrystals. The physical parameters namely strain, stress and anisotropic energy density were calculated considering uniform deformation model (UDM), uniform stress deformation model (USDM) and uniform deformation energy density model (UDEDM) of modified form of W-H analysis. Texture coefficient was estimated using XRD data. The average crystallite size of pure and Al doped ZnO samples estimated from W-H model. It is also revealed from the TEM the diameters of as synthesized samples are in good agreement with the W-H model analysis.

scholarly journals X-ray peak profile analysis of CoAl2O4 nanoparticles by Williamson-Hall and size-strain plot methods

2018 ◽  
Vol 4 (1) ◽  
pp. 31-40 ◽  
Author(s):  
H. Irfan ◽  
K Mohamed Racik ◽  
S. Anand
Keyword(s):  
Profile Analysis ◽  
Spinel Phase ◽  
Sol Gel ◽  
Chelating Agent ◽  
Cubic Phase ◽  
Physical Parameters ◽  
Deformation Model ◽  
Uniform Deformation ◽  
X Ray ◽  
Peak Broadening

CoAl2O4nanoparticles were prepared by a sol-gel process using citric acid as chelating agent with different calcination temperatures of 600 to 900 °C. The crystalline spinel cubic phase was confirmed by X-ray diffraction results. High-resolution scanning electron microscopy (HRSEM) revealed that nanoparticles of CoAl2O4morphology showed spherical forms with a certain degree of agglomeration. The Williamson-Hall (W-H) method and size-strain method to evaluate the size of crystallites and strain in the CoAl2O4nanoparticles peak broadening were applied. Physical parameters such as strain and stress values were calculated for all XRD reflection peaks corresponding to the cubic spinel phase of CoAl2O4in the range of 20 to 70° from the modified plot shape by W-H plot assuming a uniform deformation model (UDM), uniform stress deformation model (USDM), uniform deformation energy density model (UDEDM) and by the size-strain plot method (SSP). The CoAl2O4NPs crystal size calculated on the W-H plots and the SSP method are in good agreement with the HRSEM Scherrer method.

scholarly journals Research of Mechanical Properties of Random Disordered CuNi Alloys

2019 ◽  
Vol 8 (12S) ◽  
pp. 276-281
Keyword(s):  
Crystallite Size ◽  
Vacuum Chamber ◽  
Lattice Strain ◽  
Average Crystallite Size ◽  
Xrd Analysis ◽  
Argon Atmosphere ◽  
Oil Refining ◽  
Preparation Technique ◽  
Disordered Alloys ◽  
Peak Broadening

Preparation technique and structural analysis of random CuNi disordered alloys have been discussed. The arcmelting method is used to prepare different compositions of substitutional random disordered Cu1-x Nix (0.1, 0.3, 0.5, 0.7, 0.9) alloys. The stoichiometric amounts of highly purity constituents copper and nickel metals 5 N (99.999%) have been melted under argon atmosphere in vacuum chamber of 10−3 torr. The substitutional random disordered alloys free from carbon and oxygen traces are confirmed from XPS data. A lattice strain is produced in CuNi alloys as the environment of Ni atoms change from sites to sites. Lattice parameters, unit cell volume, structure and inter-planar spacing were calculated from XRD analysis. The average crystallite size of different compositions of random disordered CuNi alloys is calibrated by using Scherer’s method and Williamson-Hall (W-H) method. The roles of crystallite size and lattice strain on the XRD peak broadening of the random disordered CuNi alloys were analyzed. The strain increases with increase in concentration of Ni and exhibits a maximum of 0.00247 at 50% Ni concentration. The CuNi alloys find very wide applications in oil refining and long corrosion free life.

Crystallite size and lattice strain of lithiated spinel material for rechargeable battery by X-ray diffraction peak-broadening analysis

2019 ◽  
Vol 43 (5) ◽  
pp. 1903-1911 ◽  
Author(s):  
Ahmed A. Al-Tabbakh ◽  
Nilgun Karatepe ◽  
Aseel B. Al-Zubaidi ◽  
Aida Benchaabane ◽  
Natheer B. Mahmood
Keyword(s):  
Crystallite Size ◽  
Lattice Strain ◽  
Diffraction Peak ◽  
Rechargeable Battery ◽  
X Ray Diffraction ◽  
X Ray ◽  
Peak Broadening

scholarly journals Morphology and Luminescence of Nanocrystalline Nb2O5Doped with Eu3+

2007 ◽  
Vol 2007 ◽  
pp. 1-5 ◽  
Author(s):  
Daniele Falcomer ◽  
Adolfo Speghini ◽  
Giulio Ibba ◽  
Stefano Enzo ◽  
Carla Cannas ◽  
...  
Keyword(s):  
Crystallite Size ◽  
Single Phase ◽  
Lattice Strain ◽  
Average Crystallite Size ◽  
Inhomogeneous Broadening ◽  
Lanthanide Ions ◽  
Orthorhombic Structure ◽  
Average Lattice

The synthesis of nanocrystalline Nb2O5:Eu3+has been achieved by using a Pechini procedure. The obtained materials are single-phase niobia with the orthorhombic structure, average crystallite size around 25 nm and average lattice strain of about 0.002. TEM images show that the particles are rectangular and reasonably isolated. The luminescence of the Eu3+ions in the niobia lattice is efficient and affected by a strong inhomogeneous broadening, due to an important disorder around the lanthanide ions.

Estimation of Lattice Stress and Strain in Zinc and Manganese Ferrite Nanoparticles by Williamson–Hall and Size-Strain Plot Methods

2017 ◽  
Vol 16 (03) ◽  
pp. 1650035 ◽  
Author(s):  
M. Augustin ◽  
T. Balu
Keyword(s):  
Energy Density ◽  
Ferrite Nanoparticles ◽  
Precipitation Method ◽  
Physical Parameters ◽  
X Ray ◽  
Peak Broadening ◽  
Density Values ◽  
Strain Stress ◽  
Co Precipitation ◽  
Nonuniform Strain

The Williamson–Hall (W–H) analysis and size-strain plot method (SSP) were used to study the lattice stress, strain and crystalline size of zinc (ZnFe2O4) and manganese (MnFe2O4) ferrite nanoparticles. These nanoparticles were synthesized by chemical co-precipitation method and characterized by powder X-ray diffraction analysis (PXRD). The PXRD results revealed that the sample product was crystalline with mixed type spinel with cubic structure. The crystalline development in the ZnFe2O4 and MnFe2O4 was investigated by X-ray peak broadening. The physical parameters such as strain, stress and energy density values were calculated more precisely for all the reflection peaks of PXRD using the W–H plots and SSP method. The variation in particle size, lattice strain, stress and energy density calculated from W–H analysis and SSP method reveals a nonuniform strain in the particles. This nonuniform strain was increased when the particle sizes were increased.

Effect Co- and Sc- Doping on the Functional Properties of Nanocrystalline Powders and Thin Films of ZnO

2010 ◽  
Vol 1256 ◽  
Author(s):  
Marco A Galvez ◽  
Oscar Perales-Perez ◽  
Surinder P Singh
Keyword(s):  
Thin Films ◽  
Crystallite Size ◽  
Sol Gel ◽  
Visible Region ◽  
Average Crystallite Size ◽  
Oxide Phase ◽  
Nanocrystalline Powders ◽  
Zno Films ◽  
Exciton Peak ◽  
Doped Zno

AbstractA modified sol-gel approach to synthesize well-crystallized pure and doped ZnO nanocrystalline powders and thin films has been developed. The attachment of ZnO films onto quartz substrates was optimized by selecting suitable organic agents to control the viscosity of precursor solutions. Thermo-gravimetric analyses on pure and doped precursor solids suggested the need for annealing temperatures above 400 °C to assure the effective crystallization of the oxide phase. The average crystallite size in powders and thin films varied from 25.9 nm to 33.7 nm when pure ZnO films were annealed for 1 hour in the 450 °C - 600 °C range. The average crystallite size ranged between 30 nm and 33 nm in the presence of cobalt (5 at%) and decreased from 33.7 nm to 21.1 nm when scandium ions was used in the 0.0 at% - 10 at% range under similar annealing conditions. UV-vis measurements showed a sharp exciton peak centered at 370 nm whereas photoluminescence analyses detected the characteristic ZnO emission band in the UV region. No photoluminescence band in the visible region, usually attributed to defect states in ZnO, was observed in our measurements. Magnetization measurements revealed a weak ferromagnetism in Co-doped ZnO whereas a clear diamagnetism was evident in the Sc-doped sample.

scholarly journals Strain and Grain Size Determination of CeO2 and TiO2 Nanoparticles: Comparing Integral Breadth Methods versus Rietveld, μ-Raman, and TEM

Nanomaterials ◽  
2021 ◽  
Vol 11 (9) ◽  
pp. 2311
Author(s):  
Yamerson Canchanya-Huaman ◽  
Angie F. Mayta-Armas ◽  
Jemina Pomalaya-Velasco ◽  
Yéssica Bendezú-Roca ◽  
Jorge Andres Guerra ◽  
...  
Keyword(s):  
Crystallite Size ◽  
Metal Oxide Nanoparticles ◽  
Linear Regression Analysis ◽  
Estimation Methods ◽  
Deformation Model ◽  
Size Estimation ◽  
Uniform Deformation ◽  
Integral Breadth ◽  
X Ray ◽  
Microstructural Parameters

Various crystallite size estimation methods were used to analyze X-ray diffractograms of spherical cerium dioxide and titanium dioxide anatase nanoparticles aiming to evaluate their reliability and limitations. The microstructural parameters were estimated from several integral breadth methods such as Scherrer, Monshi, Williamson–Hall, and their variants: (i) uniform deformation model, (ii) uniform strain deformation model, and (iii) uniform deformation energy density model. We also employed the size–strain plot and Halder–Wagner method. For this purpose, an instrumental resolution function of an Al2O3 standard was used to subtract the instrumental broadening to estimate the crystallite sizes and strain, and the linear regression analysis was used to compare all the models based on the coefficient of determination. The Rietveld whole powder pattern decomposition method was introduced for comparison purposes, being the best candidate to fit the X-ray diffraction data of metal-oxide nanoparticles. Refined microstructural parameters were obtained using the anisotropic spherical harmonic size approach and correlated with the above estimation methods and transmission electron microscopy images. In addition, μ-Raman spectra were recorded for each material, estimating the mean crystallite size for comparison by means of a phonon confinement model.

scholarly journals Strain and Grain Size of CeO2 and TiO2 Nanoparticles: Comparing Structural and Morphological Methods

2021 ◽  
Author(s):  
Yamerson Canchanya-Huaman ◽  
Angie F. Mayta-Armas ◽  
Jemina Pomalaya-Velasco ◽  
Yéssica Bendezú-Roca ◽  
Jorge Andres Guerra ◽  
...  
Keyword(s):  
Crystallite Size ◽  
Metal Oxide Nanoparticles ◽  
Linear Regression Analysis ◽  
Estimation Methods ◽  
Coefficient Of Determination ◽  
Deformation Model ◽  
Size Estimation ◽  
Uniform Deformation ◽  
X Ray ◽  
Microstructural Parameters

Various crystallite size estimation methods were used to analyze X-ray diffractograms of spherical cerium dioxide and donut-like titanium dioxide anatase nanoparticles aiming to evaluate their reliability and limitations. The microstructural parameters were estimated from Scherrer, Monshi, Williamson-Hall, and their variants: i) uniform deformation model, ii) uniform strain deformation model, and iii) uniform deformation energy density model, and also size-strain plot, and Halder-Wagner method. For that, and improved systematic Matlab code was developed to estimate the crystallite sizes and strain, and the linear regression analysis was used to compare all the models based on the coefficient of determination, where the Halder Wagner method gave the highest value (close to 1). Therefore, being the best candidate to fit the X-ray Diffraction data of metal-oxide nanoparticles. Advanced Rietveld was introduced for comparison purposes. Refined microstructural parameters were obtained from a nanostructured 40.5 nm Lanthanum hexaboride nanoparticles and correlated with the above estimation methods and transmission electron microscopy images. In addition, electron density modelling was also studied for final refined nanostructures, and μ-Raman spectra were recorded for each material estimating the mean crystallite size and comparing by means of a phonon confinement model.

scholarly journals Effect of Ni doping on structural, optical and photocatalytic properties of Zn1-XNiXO nanoparticles prepared by different pH conditions

2013 ◽  
Vol 12 (6) ◽  
pp. 4097-4107 ◽  
Author(s):  
R. Jeyachitr ◽  
N. Sriharan ◽  
V. Senthilnathan ◽  
T. S. Senthil
Keyword(s):  
Average Crystallite Size ◽  
Hexagonal Wurtzite Structure ◽  
Photocatalytic Properties ◽  
Precipitation Method ◽  
Ni Doping ◽  
Zno Nanocrystals ◽  
Structure Morphology ◽  
Ph Conditions ◽  
Doped Zno ◽  
Co Precipitation

Zn1-XNiXO (x = 0.00, 0.02, 0.04 & 0.06 mol %) nanoparticles were prepared by simple co-precipitation method. The influences of Ni doping on structure, morphology, optical and photocatalytic properties were investigated by means of Xray diffraction, scanning electron microscopy, UV–Vis spectrophotometer and photochemical reaction method. The obtained result shows that the prepared ZnO nanocrystals were hexagonal wurtzite structure and the average crystallite size decreases with increase of Ni doping. The increase of visible light absorption and increase of band gap were found with the increase of Ni doping concentration, which enable the sample harvest more photons to excite the electron from valence band. The photocatalytic properties of Ni doped ZnO nanocrystals shows enhanced activity that the pure ZnO nanocrystals. The photocatalytic activities were not significantly affected by the particle size and 0.04% Ni doped ZnO nanocrystals shows best catalytic activity than the other catalysts.

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