Comparation of X-ray diffraction pattern refinement using Rietica and MAUD of ZnO nanoparticles and nanorods

Purwaningsih, Sri Yani; Rosidah, Nur Laili Alfina; Zainuri, Mochamad; Triwikantoro, T.; Pratapa, Suminar; Darminto, D.

doi:10.1088/1742-6596/1153/1/012070

Cited by 7 publications

(5 citation statements)

References 10 publications

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“…Therefore, discussing the cell parameters through other simple method by powder X-ray diffraction may be relevant. Quite recently, the cell parameters of some complexes have been estimated from the corresponding powder-XRD by applying Le Bail method [9][10][11][12][13][14] , which is usually applied for powder metal oxides [15][16][17][18] . While in the absence of single crystal due to unsuccessful on producing them are quite often, the powder XRD offers an alternative way to estimate the cell parameters, and probably the position of atoms and thus bond lengths as well as bond angles might be depicted in one occation.…”

Section: Introductionmentioning

confidence: 99%

Complex of Tris(Phenanthroline)Cobalt(II)Trifluoroacetate: Characterisation and Powder XRD Analysis

2019

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The powder complex of tris(phenanthroline)cobalt(II) trifluoroacetate (TFA) has been prepared by interaction of cobalt(II) nitrate, phenanthroline (phen) in aqueous solution with drops of ethanol, and an excess of saturated aqueous solution of sodium trifluoroacetate, whereupon the yellowish powder was produced. AAS measurment for the metal content, equivalent conductance (1:2), and TGA-DTA of the powder suggest the corresponding formula of [Co(phen)3](TFA)2.5H2O. The efffective magnetic moment of 4.9 BM indicates the high-spin nature of this complex which corresponds to three unpaired electrons in the electronic configuration of Co(II) with significantly higher than the spin only value due to the orbital contribution. UV-Vis spectrum of the complex reveals the d-d spin-allowed transition bands as well as the MLCT and intraligand band. The estimating transition energy ratio of 2.04 for ν2/ν1, is clearly in the range for octahedral configuration. The infrared spectral property indicates the main mode of vibrations for the functional groups of ligand phen and TFA, and thus supports strongly the formula proposed for this complex. The corresponding powder XRD was then refined using Rietica-Le Bail method and found to be fit as triclinic crystal system with space group of PĪ.

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Section: Introductionmentioning

confidence: 99%

Complex of Tris(Phenanthroline)Cobalt(II)Trifluoroacetate: Characterisation and Powder XRD Analysis

2019

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“…Sigma and R exp quality factors obtained for the Rietveld analysis XRD are 1.4 and 2.7, respectively, for the US-RN nanoparticles while they are 1.4 and 3.2 for the OM 6231A powder. These values indicate highly reliable results for the quantification of crystallographic phases in the analyzed powders since they are below 2 for sigma and below 15 for R exp (Ref 34,35).…”

Section: Feedstock Powdersmentioning

confidence: 80%

“…The above indicates that the values reported in Table 3 are reliable, since the criteria established for the goodness of fitting for Rietveld refinements performed with MAUD are sig. < 2 and R exp < 15 (Ref 34,35). The high values of standard deviation calculated for some of the phases can be attributed to their low crystallinity.…”

Section: Manufactured Coatingsmentioning

confidence: 98%

Formation, Transformation, and Electrical Performance of Magnéli Phases Obtained by Flame Spraying from TiO2 Particles

Vargas-Galvis,

Holguín-Villa,

Arias Gómez

et al. 2023

J. of Materi Eng and Perform

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In this paper, the formation and transformation of Magnéli phases (TinO2n-1) during manufacturing of flame-sprayed coatings from two powders consisting of anatase nanoparticles and submicrometric particles with Magnéli phases is analyzed, respectively. These powders were thermally sprayed on a ceramic substrate through oxidizing and neutral flame. Crystalline phases in powders and coatings were identified by x-ray diffraction and quantified by the Rietveld method, verifying the presence of identified crystalline phases in coatings by x-ray photoelectron spectroscopy. Finally, the electrical conductance of coatings was measured by the four-point probe method. Results indicate that Magnéli phases are produced from anatase nanoparticles sprayed using both the oxidizing and neutral flames, and when the neutral flame and finest particles are used, a high quantity of Ti4O7 and Ti5O9, recognized thanks to their high electrical conductivity, is obtained. In contrast, when the coatings were fabricated from the powder containing Magnéli phases, they were oxidized as much in oxidizing as in neutral flame, producing a partial transformation from Ti4O7 and Ti5O9 to both the rutile phase and TiO in low quantity. In spite of this partial transformation, the coatings maintain high electrical conductivity thanks to Ti4O7 and Ti5O9 Magnéli phases remaining and the TiO produced.

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“…For both samples, the 2 Ɵ° diffraction peaks of 31.80, 34.41, 36.21, 47.52 and 56.53 correspond well to the reticular planes (100), ( 002), ( 101), ( 102) and ( 110) respectively, of the hexagonal wurtzite structure of ZnO (JCPDS no. 36-1451 ZnO wurtzite structure) [18,19]. The diffraction peaks at 38.1 and 44.…”

Section: X-ray Diffractionmentioning

confidence: 99%

Preparation of a Photocatalytic Activated Carbon Based on Almond Shell and Ag-ZnO: Characterization and Application to Organic Effluent Treatment

Boulika,

Nabih,

Elhajam

et al. 2023

KEM

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A simple and efficient method for the synthesis of an heterostructure of Ag-ZnO composite alone and impregnated with activated carbon (AC) prepared from almond shells has been developed. The structural, morphological, compositional and optical properties of the synthesized composites were examined respectively by X-ray Diffraction, Scanning Electron Microscopy Coupled to EDS, Infrared Spectroscopy and Diffuse Reflectance Ultraviolet-Visible. The use of this prepared these materials allows to degrade up to 99.9% of MR by photocatalysis in visible light at a pH of 6 and a H2O2 concentration of 0.1 M. This efficiency of these composites developed is attributed to their homogeneous structural and functional composition, to the fineness of the particles, to their wide bandgap of 2,487 eV for Ag-ZnO and 1,856 eV for Ag-ZnO/CA and to the high thermal resistance of Ag-ZnO. This type of composite seems to be effective for the depollution of organic effluents.

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Comparation of X-ray diffraction pattern refinement using Rietica and MAUD of ZnO nanoparticles and nanorods

Cited by 7 publications

References 10 publications

Complex of Tris(Phenanthroline)Cobalt(II)Trifluoroacetate: Characterisation and Powder XRD Analysis

Complex of Tris(Phenanthroline)Cobalt(II)Trifluoroacetate: Characterisation and Powder XRD Analysis

Formation, Transformation, and Electrical Performance of Magnéli Phases Obtained by Flame Spraying from TiO2 Particles

Preparation of a Photocatalytic Activated Carbon Based on Almond Shell and Ag-ZnO: Characterization and Application to Organic Effluent Treatment

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