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

dc.contributorUniversidade Federal da Paraíba (UFPB)
dc.contributorUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-12-03T13:11:46Z
dc.date.available2014-12-03T13:11:46Z
dc.date.created2014-12-03T13:11:46Z
dc.date.issued2014-02-01
dc.identifierJournal Of Solid State Chemistry. San Diego: Academic Press Inc Elsevier Science, v. 210, n. 1, p. 171-177, 2014.
dc.identifier0022-4596
dc.identifierhttp://hdl.handle.net/11449/113531
dc.identifier10.1016/j.jssc.2013.11.023
dc.identifierWOS:000330081900027
dc.identifier6284168579617066
dc.description.abstractIn 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.
dc.languageeng
dc.publisherElsevier B.V.
dc.relationJournal of Solid State Chemistry
dc.relation2.179
dc.relation0,632
dc.rightsAcesso restrito
dc.sourceWeb of Science
dc.subjectTiO2
dc.subjectNanoparticles
dc.subjectMicrowave solvothermal synthesis
dc.subjectComputational periodic model
dc.subjectB3LYP-D*
dc.titleTiO2 synthesized by microwave assisted solvothermal method: Experimental and theoretical evaluation
dc.typeArtículos de revistas


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