Size-strain line-broadening analysis of anatase/brookite (TiO2)-based nanocomposites with carbon (C): XRPD and Raman spectroscopic analysis
Само за регистроване кориснике
2022
Аутори
Kremenović, AleksandarGrujić-Brojčin, Mirjana
Tomić, Nataša
Lazović, Vladimir
Bajuk-Bogdanović, Danica
Krstić, Jugoslav
Šćepanović, Maja
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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-1are dominated by a strong feature primarily composed of the most intense modes of anatase (Eg ) and brookite (A 1g ). 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 impl...y the use of the PCM for the brookite A 1g mode. Superposition of the anatase Eg mode profile, calculated by the PCM, and the Lorentzian shape of the brookite A 1g 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.
Кључне речи:
anatase / brookite / phonon confinement model / Raman spectra / size-strain line broadening / TiO2 / XRPDИзвор:
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 2022, 78, 214-222Издавач:
- UK : International Union of Crystallography
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200126 (Универзитет у Београду, Рударско-геолошки факултет) (RS-MESTD-inst-2020-200126)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200026 (Универзитет у Београду, Институт за хемију, технологију и металургију - ИХТМ) (RS-MESTD-inst-2020-200026)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200146 (Универзитет у Београду, Факултет за физичку хемију) (RS-MESTD-inst-2020-200146)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200024 (Универзитет у Београду, Институт за физику, Београд-Земун) (RS-MESTD-inst-2020-200024)
DOI: 10.1107/S2052520622001731
ISSN: 2052-5206
PubMed: 35411859
WoS: 000782303000012
Scopus: 2-s2.0-85128024948
Институција/група
IHTMTY - JOUR AU - Kremenović, Aleksandar AU - Grujić-Brojčin, Mirjana AU - Tomić, Nataša AU - Lazović, Vladimir AU - Bajuk-Bogdanović, Danica AU - Krstić, Jugoslav AU - Šćepanović, Maja PY - 2022 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/5424 AB - 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-1are dominated by a strong feature primarily composed of the most intense modes of anatase (Eg ) and brookite (A 1g ). 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 A 1g mode. Superposition of the anatase Eg mode profile, calculated by the PCM, and the Lorentzian shape of the brookite A 1g 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. PB - UK : International Union of Crystallography T2 - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials T1 - Size-strain line-broadening analysis of anatase/brookite (TiO2)-based nanocomposites with carbon (C): XRPD and Raman spectroscopic analysis VL - 78 SP - 214 EP - 222 DO - 10.1107/S2052520622001731 ER -
@article{ author = "Kremenović, Aleksandar and Grujić-Brojčin, Mirjana and Tomić, Nataša and Lazović, Vladimir and Bajuk-Bogdanović, Danica and Krstić, Jugoslav and Šćepanović, Maja", year = "2022", abstract = "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-1are dominated by a strong feature primarily composed of the most intense modes of anatase (Eg ) and brookite (A 1g ). 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 A 1g mode. Superposition of the anatase Eg mode profile, calculated by the PCM, and the Lorentzian shape of the brookite A 1g 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.", publisher = "UK : International Union of Crystallography", journal = "Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials", title = "Size-strain line-broadening analysis of anatase/brookite (TiO2)-based nanocomposites with carbon (C): XRPD and Raman spectroscopic analysis", volume = "78", pages = "214-222", doi = "10.1107/S2052520622001731" }
Kremenović, A., Grujić-Brojčin, M., Tomić, N., Lazović, V., Bajuk-Bogdanović, D., Krstić, J.,& Šćepanović, M.. (2022). 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 UK : International Union of Crystallography., 78, 214-222. https://doi.org/10.1107/S2052520622001731
Kremenović A, Grujić-Brojčin M, Tomić N, Lazović V, Bajuk-Bogdanović D, Krstić J, Šćepanović M. 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. 2022;78:214-222. doi:10.1107/S2052520622001731 .
Kremenović, Aleksandar, Grujić-Brojčin, Mirjana, Tomić, Nataša, Lazović, Vladimir, Bajuk-Bogdanović, Danica, Krstić, Jugoslav, Šćepanović, Maja, "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, 78 (2022):214-222, https://doi.org/10.1107/S2052520622001731 . .