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http://acervodigital.unesp.br/handle/11449/113531
- Title:
- TiO2 synthesized by microwave assisted solvothermal method: Experimental and theoretical evaluation
- Universidade Federal da Paraíba (UFPB)
- Universidade Estadual Paulista (UNESP)
- 0022-4596
- Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
- Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
- Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
- INCTMN-Unesp-UFPB
- 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 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. (c) 2013 Elsevier Inc. All rights reserved.
- 1-Feb-2014
- Journal Of Solid State Chemistry. San Diego: Academic Press Inc Elsevier Science, v. 210, n. 1, p. 171-177, 2014.
- 171-177
- Elsevier B.V.
- TiO2
- Nanoparticles
- Microwave solvothermal synthesis
- Computational periodic model
- B3LYP-D*
- http://dx.doi.org/10.1016/j.jssc.2013.11.023
- Acesso restrito
- outro
- http://repositorio.unesp.br/handle/11449/113531
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