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Strain and Grain Size Determination of CeO(2) and TiO(2) Nanoparticles: Comparing Integral Breadth Methods versus Rietveld, μ-Raman, and TEM

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...

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Autores principales: Canchanya-Huaman, Yamerson, Mayta-Armas, Angie F., Pomalaya-Velasco, Jemina, Bendezú-Roca, Yéssica, Guerra, Jorge Andres, Ramos-Guivar, Juan A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8469540/
https://www.ncbi.nlm.nih.gov/pubmed/34578630
http://dx.doi.org/10.3390/nano11092311
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author Canchanya-Huaman, Yamerson
Mayta-Armas, Angie F.
Pomalaya-Velasco, Jemina
Bendezú-Roca, Yéssica
Guerra, Jorge Andres
Ramos-Guivar, Juan A.
author_facet Canchanya-Huaman, Yamerson
Mayta-Armas, Angie F.
Pomalaya-Velasco, Jemina
Bendezú-Roca, Yéssica
Guerra, Jorge Andres
Ramos-Guivar, Juan A.
author_sort Canchanya-Huaman, Yamerson
collection PubMed
description 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 Al(2)O(3) 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.
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spelling pubmed-84695402021-09-27 Strain and Grain Size Determination of CeO(2) and TiO(2) Nanoparticles: Comparing Integral Breadth Methods versus Rietveld, μ-Raman, and TEM Canchanya-Huaman, Yamerson Mayta-Armas, Angie F. Pomalaya-Velasco, Jemina Bendezú-Roca, Yéssica Guerra, Jorge Andres Ramos-Guivar, Juan A. Nanomaterials (Basel) Article 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 Al(2)O(3) 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. MDPI 2021-09-06 /pmc/articles/PMC8469540/ /pubmed/34578630 http://dx.doi.org/10.3390/nano11092311 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Canchanya-Huaman, Yamerson
Mayta-Armas, Angie F.
Pomalaya-Velasco, Jemina
Bendezú-Roca, Yéssica
Guerra, Jorge Andres
Ramos-Guivar, Juan A.
Strain and Grain Size Determination of CeO(2) and TiO(2) Nanoparticles: Comparing Integral Breadth Methods versus Rietveld, μ-Raman, and TEM
title Strain and Grain Size Determination of CeO(2) and TiO(2) Nanoparticles: Comparing Integral Breadth Methods versus Rietveld, μ-Raman, and TEM
title_full Strain and Grain Size Determination of CeO(2) and TiO(2) Nanoparticles: Comparing Integral Breadth Methods versus Rietveld, μ-Raman, and TEM
title_fullStr Strain and Grain Size Determination of CeO(2) and TiO(2) Nanoparticles: Comparing Integral Breadth Methods versus Rietveld, μ-Raman, and TEM
title_full_unstemmed Strain and Grain Size Determination of CeO(2) and TiO(2) Nanoparticles: Comparing Integral Breadth Methods versus Rietveld, μ-Raman, and TEM
title_short Strain and Grain Size Determination of CeO(2) and TiO(2) Nanoparticles: Comparing Integral Breadth Methods versus Rietveld, μ-Raman, and TEM
title_sort strain and grain size determination of ceo(2) and tio(2) nanoparticles: comparing integral breadth methods versus rietveld, μ-raman, and tem
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8469540/
https://www.ncbi.nlm.nih.gov/pubmed/34578630
http://dx.doi.org/10.3390/nano11092311
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