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Title: TiO{sub 2} synthesized by microwave assisted solvothermal method: Experimental and theoretical evaluation

In this study, a microwave assisted solvothermal method was used to synthesize TiO{sub 2} 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 1 min 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 30 min, while spheres and sticks were observed after 60 min. - Graphical abstract: FE-SEM images of anatase obtained with different periods of synthesis associated with the order–disorder degree. Display Omitted - Highlights: • 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.
Authors:
; ; ;  [1] ;  [2] ; ;  [1] ;  [3] ;  [1]
  1. INCTMN/LACOM, Departamento de Química, Universidade Federal da Paraíba, Campus 1, CEP 58059-900 João Pessoa, PB (Brazil)
  2. INCTMN/LIEC, Instituto de Química, Universidade Estadual Paulita, Rua Prof. Francisco Degni, 55, Quitandinha, CEP 14800-900 Araraquara, SP (Brazil)
  3. INCTMN/LSM, Departamento de Matemática, Universidade Estadual Paulista, Av. Eng. Luiz Edmundo Carrijo Coube, 14-01, CEP 17033-360 Bauru, SP (Brazil)
Publication Date:
OSTI Identifier:
22274212
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 210; Journal Issue: 1; Other Information: Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ETHANOL; HYDROTHERMAL SYNTHESIS; NANOSTRUCTURES; PERIODICITY; RAMAN SPECTRA; SCANNING ELECTRON MICROSCOPY; TITANIUM; TITANIUM OXIDES; X-RAY DIFFRACTION