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Polypyrrole/functionalized multi-walled carbon nanotube composite for optoelectronic device application

M. Zwawi, A. Attar, A. F. Al-Hossainy, M. H. Abdel-Aziz, and M. Sh. Zoromba

Mechanical Engineering Department, King Abdulaziz University, Rabigh, Saudi Arabia



Received: 4 June 2021  Accepted: 18 August 2021


Doped polypyrrole/functionalized multi-walled carbon nanotubes composites were synthesized in an acidic medium using an in situ oxidative polymerization route. FeCl3 was utilized as an oxidizing agent and sodium dodecyl sulfate as a surfactant to produce 2-dimensional films. Thin films were fabricated from polypyrrole/functionalized multi-walled carbon nanotubes composites using the thermal evaporation technique and are inspected by various methods. The surface morphology of the thin film is characterized by computing the crystalline size and shape. The XRD study of [PPy] and [PPyCNs]NC as-deposited thin films showed that these polymers are merely a triclinic crystal structure with a space group P \(\overline{1}\). The crystallite size (D) value average is 74.24 nm for [PPyCNsF]NC. The direct energy gap values are decreased from 2.68 to 1.93 eV for [PPy] and [PPyCNs]NC as-deposited thin film, respectively. The optical features of the thin film were investigated. The optical constants and optical conductivity for the nanotubes composites were figured and interrelated by using experiment and TDDFT-DFT/DMOl3 simulation methods. The structural and optical parameters of the simulated nanocomposites as single isolated molecules are in reasonable agreement with the investigational work. The nanotube composite thin films exhibited encouraging results to be a worthy applicant for polymer solar cell requests.

Keywords: Polypyrrole nanotubes; Nanotube composites; Thin film; TDDFT-DFT; Optoelectrical device

Full paper is available at

DOI: 10.1007/s11696-021-01830-5


Chemical Papers 75 (12) 6575–6589 (2021)

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