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

被引：34

作者：

Moura, K. F. ^{[1
]}

Maul, J. ^{[1
]}

Albuquerque, A. R. ^{[1
]}

Casali, G. P. ^{[1
]}

Longo, E. ^{[2
]}

Keyson, D. ^{[1
]}

Souza, A. G. ^{[1
]}

Sambrano, J. R. ^{[3
]}

Santos, I. M. G. ^{[1
]}

机构：

[1] Univ Fed Paraiba, INCTMN LACOM, Dept Quim, BR-58059900 Joao Pessoa, Paraiba, Brazil

[2] Univ Estadual Paulita, Inst Quim, INCTMN LIEC, BR-14800900 Araraquara, SP, Brazil

[3] Univ Estadual Paulista, Dept Matemat, INCTMN LSM, BR-17033360 Bauru, SP, Brazil

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2014年 / 210卷 / 01期

基金：

巴西圣保罗研究基金会;

关键词：

TiO2; Nanoparticles; Microwave solvothermal synthesis; Computational periodic model; B3LYP-D*; SENSITIZED SOLAR-CELLS; ANATASE TIO2; HYDROTHERMAL SYNTHESIS; RAMAN-SPECTROSCOPY; PARTICLES; PHASE; TRANSFORMATION; DEPENDENCE; PRESSURE; SPECTRUM;

D O I：

10.1016/j.jssc.2013.11.023

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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.

引用

页码：171 / 177

页数：7

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