TiO2 synthesized by microwave assisted solvothermal method: Experimental and theoretical evaluation

In this study, a microwave assisted solvothermal method was used to synthesize TiO2 with anatase structure. The synthesis was done using Ti (IV) isopropoxide and ethanol without templates or alkalinizing agents. Changes in structural features were observed with increasing time of synthesis and evalu...

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Bibliographic Details
Published in:Journal of solid state chemistry 2014-02, Vol.210 (1), p.171-177
Main Authors: Moura, K.F., Maul, J., Albuquerque, A.R., Casali, G.P., Longo, E., Keyson, D., Souza, A.G., Sambrano, J.R., Santos, I.M.G.
Format: Article
Language:English
Subjects:
Anatase
B3LYP-D
Computational periodic model
Condensed matter: structure, mechanical and thermal properties
Constant-composition solid-solid phase transformations: polymorphic, massive, and order-disorder
Cross-disciplinary physics: materials science
rheology
Crystalline state (including molecular motions in solids)
Crystallographic aspects of phase transformations
pressure effects
Ethanol
Ethyl alcohol
Exact sciences and technology
Growth from solutions
Materials science
Mathematical analysis
Methods of crystal growth
physics of crystal growth
Microwave solvothermal synthesis
Microwaves
Nanoparticles
Nanoscale materials and structures: fabrication and characterization
Other topics in nanoscale materials and structures
Phase diagrams and microstructures developed by solidification and solid-solid phase transformations
Physics
Quantum chemistry
Structure of solids and liquids
crystallography
Synthesis
TiO2
Titanium dioxide
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Summary:In this study, a microwave assisted solvothermal method was used to synthesize TiO2 with anatase structure. The synthesis was done using Ti (IV) isopropoxide and ethanol without templates or alkalinizing agents. Changes in structural features were observed with increasing time of synthesis and evaluated using periodic quantum chemical calculations. The anatase phase was obtained after only 1min of reaction besides a small amount of brookite phase. Experimental Raman spectra are in accordance with the theoretical one. Micrometric spheres constituted by nanometric particles were obtained for synthesis from 1 to 30min, while spheres and sticks were observed after 60min. FE-SEM images of anatase obtained with different periods of synthesis associated with the order–disorder degree. [Display omitted] •Anatase microspheres were obtained by the microwave assisted hydrothermal method.•Only ethanol and titanium isopropoxide were used as precursors during the synthesis.•Raman spectra and XRD patterns were compared with quantum chemical calculations.•Time of synthesis increased the short-range disorder in one direction and decreased in another.
ISSN:0022-4596
1095-726X
DOI:10.1016/j.jssc.2013.11.023