Nanostructured titanium dioxide average size from alternative analysis of Scherrer's Equation

Abstract

RESUMOQuantificar o tamanho de materiais em escala nanométrica é um dos desafios a serem superados, uma vez que existem técnicas diferentes. A equação de Scherrer modificada foi usada para estimar o tamanho das partículas de dióxido de titânio em escala nanométrica. Dióxido de titânio com tamanho nominal de nanopartícu-la de 21 nm foi usado como padrão para determinar a precisão da equação modificada. A partir dos dados de raios-X, para a amostra sem tratamento térmico foi obtido um valor médio do tamanho das nanopartículas de 20,63 nm. Um tratamento estatístico foi usado para fazer uma correlação entre o valor estimando pela equação de Scherrer modificada e o valor nominal de 21nm. Um desvio de 0,70 foi encontrado entre o valor calculado e o valor nominal, indicando uma concordância entre os valores. Adicionalmente, a influência da temperatura sobre o tamanho médio das nanopartículas de dióxido de titânio foi pesquisada.Palavras-chave: Nanomateriais, Equação de Scherrer, Dióxido de Titânio. ABSTRACTThe materials sizing in nano-scale is a challenge to be overcome, because the size determined by various methods differ. In order to shed light about the nanomaterials sizing, a modified Scherrer's equation was applied to estimate more accurately the nanostructured titanium dioxide crystal size. The manufactured titanium dioxide-nanostructured powder with nominal average size about 21nm was used as the reference standard to determine the accurate of modified equation. From X-ray diffraction data, an average crystal size about 20.63 nm was achieved for unheated sample. To establish a relation between the result obtained with modified Scherrer's equation and the nominal average crystal size, a statistical treatment and a comparative assessment were performed. The average absolute divergence does not exceed 0.70 nm. The value of crystal size determined from X-ray data was in good agreement with that informed by the supplier. Additionally, the behavior of sample was studied as a function of temperature.

Evaluation of Photoelectrocatalysis with Electrode Based on Ti/RuO2-TiO2 Modified with Tin and Tantalum Oxides for the Degradation of Indigo Blue Dye

“…Using XRD data, it was also possible to calculate the average crystallite size for the different crystalline planes of RuO 2 and TiO 2 , using the Scherrer equation [ 31 ]: D = 0.9 × λ/β × cos θ β where D is the average size of the crystallite, λ the wavelength of the radiation, β the width of the reflection in radians and θ β the angle of maximum intensity of the reflection. The results are shown in Table 2 .…”

Influence of Solvents' Polarity on the Physicochemical Properties and Photocatalytic Activity of Titania Synthesized Using Deinbollia pinnata Leaves

“…For the crystallinity studies done using XRD, as shown in Figure 4 , the major peaks were at 2θ values of 25.18° (101), 37.73° (004), 47.94° (200), 53.76° (105), and 54.96° (211), which indicated the successful synthesis of anatase TiO 2 NP S. The XRD pattern confirmed the synthesized TiO 2 consist of anatase phase in high purity, with average crystallite size in the range of 19–21 nm. Scherer's equation (Lima et al, 2018 ), which relates the size of sub-micrometer crystallites in a solid to broadening of a sample peak in a diffraction pattern' illustrated as; D = K λ / β cos θ where ( D ) is average crystal size for the main broadening anatase peak; K = Scherrer's coefficient constant (0.89) which depend on the crystallite shape, λ = X-ray wavelength; β = full width at half maximum intensity (FWHM) of diffraction peaks in radians and θ = Bragg's angle, has been used to correlate the sample analysis reference pattern. The average crystallite size of the synthesized TiO 2 was 11 nm, which showed similarity with TiO 2 NPs synthesis using the extracts of Syzygium cumini , as reported by Sethy et al ( 2020 ).…”

Zn2+-Doped TiO2:WO3 Films Prepared by Electrospinning and Sintering: Microstructural Characterization and Electrical Signature to Moisture Sensing

“…The crystallite average size (D) of the anatase TiO (Table 1) and monoclinic WO in the investigated 𝑇𝑊, 𝑇𝑊 − 𝑍𝑛2 and 𝑇𝑊 − 𝑍𝑛4 nanocomposites was determined by the modified Scherrer equation (MSE), D = λ 3βcos (θ) ⁄ [24], where 1/3 is the correction value of the shape factor K in Scherrer Equation [25]; λ is the X-ray radiation wavelength; β and θ are the full width half maxima and the half of the diffraction angle (2θ) at the crystal planes detected in the XRD spectrum, respectively. In fact, there is the occurrence of zinc ion doping in the atomic structure of titanium: the ionic radius of Zn 2+ ions (0.74 Å [23]) is close to that of Ti 4+ ions, promoting the occupation of vacancies of the Ti atom sites by Zn elements, after the sintering process.…”

“…The crystallite average size (D) of the anatase TiO 2 (Table 1) and monoclinic WO 3 in the investigated TW, TW − Zn2 and TW − Zn4 nanocomposites was determined by the modified Scherrer equation (MSE), D = λ/3β cos(θ) [24], where 1/3 is the correction value of the shape factor K in Scherrer Equation [25]; λ is the X-ray radiation wavelength; β and θ are the full width half maxima and the half of the diffraction angle (2θ) at the crystal planes detected in the XRD spectrum, respectively.…”