期刊
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
卷 713, 期 -, 页码 91-97出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jelechem.2013.12.003
关键词
Conductive polymer; Nanocomposite; TiO2; Electrosynthesis; Maxwell-Garnett theory; DFT
资金
- Iranian Nano Council
Poly tyramine (PT)/nanocrystalline TiO2 composite was electrodeposited through cyclic voltammetry scans to afford conductive polymer/TiO2 nanocomposite. The results showed a strong interaction at the interface of PT and nano-TiO2. Molecular modeling calculations were carried out for Ty polymerization with density functional theory (DFT) level using 6-31G (d,p) basis set for all atoms and Gaussian 03 program package. Furthermore, the experimental absorbance spectra of TiO2/conductive polymer nanocomposite were compared with the results from the Maxwell-Garnett theory (MGT) and the value of energy E-g = 3.75 eV of composite obtained. Compared with Ni-PT/G, Ni-TiO2-PT/G electrode shows a higher catalytic performance in the electrocatalytic oxidation of methanol. (C) 2013 Elsevier B.V. All rights reserved.
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