Size–strain line-broadening analysis of anatase/brookite (TiO₂)-based nanocomposites with carbon (C): XRPD and Raman spectroscopic analysis

Објеката

Тип

Рад у часопису

Верзија рада

објављена верзија

Језик

енглески

Креатор

Aleksandar Kremenović, Mirjana Grujić-Brojčin, Nataša Tomić, Vladimir Lazović, Danica Bajuk-Bogdanović, Jugoslav Krstić, Maja Šćepanović

Извор

Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials

Издавач

International Union of Crystallography (IUCr)

Датум издавања

2022

Сажетак

A size-strain line-broadening analysis of the XRPD patterns and Raman spectra for two anatase/brookite (TiO2)-based nanocomposites with carbon (C) was carried out and the results compared with those of a similar sample free of carbon. The crystal structures and microstructures of anatase and brookite, as well as their relative abundance ratio, have been refined from XRPD data by the Rietveld method (the low amount of carbon is neglected). The XRPD size-strain analysis resulted in reliable structure and microstructure results for both anatase and brookite. The experimental Raman spectra of all the samples in the region 100-200 cm-1 are dominated by a strong feature primarily composed of the most intense modes of anatase (Eg) and brookite (A1g). The anatase crystallite sizes of 14-17 nm, estimated by XRPD, suggest the application of the phonon confinement model (PCM) for the analysis of the anatase Eg mode, whereas the relatively large brookite crystallite size (27-29 nm) does not imply the use of the PCM for the brookite A1g mode. Superposition of the anatase Eg mode profile, calculated by the PCM, and the Lorentzian shape of the brookite A1g mode provide an appropriate simulation of the change in the dominant Raman feature in the spectra of TiO2-based nanocomposites with carbon. Raman spectra measured in the high-frequency range (1000-2000 cm-1) provide information on carbon in the investigated nanocomposite materials. The results from field-emission scanning electron microscope (SEM), thermogravimetric analysis (TGA), Fourier transform infrared (FTIR) spectroscopy and nitrogen physisorption measurements support the XRPD and Raman results.

том

78

Број

2

почетак странице

214

крај странице

222

doi

10.1107/S2052520622001731

issn

2052-5206

Subject

Materials Chemistry, Metals and Alloys, Atomic and Molecular Physics, Optics, Electronic, Optical and Magnetic Materials

uri

http://journals.iucr.org/b/issues/2022/02/00/ra5103/ra5103.pdf

Шира категорија рада

M20

Ужа категорија рада

М22

Права

Затворени приступ

Лиценца

All rights reserved

Формат

.pdf

ORCID

https://orcid.org/0000-0001-8845-2332

Скупови објеката

Александар Кременовић

Radovi istraživača

Aleksandar Kremenović, Mirjana Grujić-Brojčin, Nataša Tomić, Vladimir Lazović, Danica Bajuk-Bogdanović, Jugoslav Krstić, Maja Šćepanović. "Size–strain line-broadening analysis of anatase/brookite (TiO₂)-based nanocomposites with carbon (C): XRPD and Raman spectroscopic analysis" in Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, International Union of Crystallography (IUCr) (2022). https://doi.org/10.1107/S2052520622001731

This item was submitted on 8. децембар 2022. by [anonymous user] using the form “Рад у часопису” on the site “Радови”: http://dr.rgf.bg.ac.rs/s/repo