Electrochemical and Optical Investigation of Conductive Polymer and MWCNT Nanocomposite Film

• Autor(a) principal: Ehsani,Ali
• Data de Publicação: 2015
• Outros Autores: Babaei,Ferydon, Mostaanzadeh,Hossein
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Journal of the Brazilian Chemical Society (Online)
• Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532015000200331
• topic: conductive polymer; composite; CNTs; band gap; absorbance; DFT

Composites of multi-walled carbon nanotubes (MWCNT) and conductive polymer with good uniformity were prepared by electropolymerization. Molecular modeling calculations were carried out for electroactive monomer (OAP) polymerization with density functional theory (DFT) level using 6-311G(d,p) basis set for all atoms and Gaussian 03 program package. The reflectance and transmittance amplitudes of the composite were obtained, using the continuity of the tangential components of electrical and magnetic fields at interfaces and solving the algebraic matrix equation. The calculated absorbance spectra as a function of wavelength for MWCNTs dispersed in the conductive polymer are depicted. Band gap of the p-type semiconducting film was obtained from the plot of (αhv)2vs. photon energy.