Abstract

Polypyrrole/multiwalled carbon nanotubes composites (PPy/MWCNTs) were produced in an acidic solution utilizing an in situ oxidative polymerization method using ferric chloride as an oxidizing agent and sodium dodecyl sulfate as a soft template. Thermal evaporation was used to fabricate thin films from polypyrrole/multiwalled carbon nanotube composites. The resulting composites were examined by different techniques to explore their morphology, structural and electrical characteristics. The surface morphology analysis revealed that polypyrrole structure is a two-dimensional film with impeded nanoparticles and the thickness of coated PPy around the MWCNTs decreases when increasing the amount of MWCNTs. XRD analysis revealed that the average crystallite size of the prepared composites is 62.26 nm. The direct energy gap for PPy is affected by a factor ranging from 2.41 eV to 1.47 eV depending on the contents of MWCNTs. The thin film’s optical properties were examined using experimental and TDDFT-DFT/DMOl3 simulation techniques. The optical constants and optical conductivity of the composites were calculated and correlated. The structural and optical characteristics of the simulated nanocomposites as single isolated molecules accord well with the experimental results. The nanocomposite thin films demonstrated promising results, making them a viable candidate for polymer solar cell demands. Under optimal circumstances, the constructed planar heterojunction solar cells with a 75 ± 3 nm layer of PPy/MWCNTs had a power conversion efficiency (PCE) of 6.86%.

Highlights

  • Conducting polymers (CPs) have recently attracted the interest of researchers due to their potential optoelectronic characteristics

  • We provide a simple technique for coating multi-walled carbon nanotubes (MWCNTs) with polypyrrole to produce a one-dimensional hybrid nanostructure using an improved in situ chemical oxidative polymerization process

  • The FTIR spectrum of the PPy/MWCNT composites with PPy are comparable to that of clean MWCNTs and PPy. This validates the presence of all PPy and MWCNT characteristic bands in composites

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Summary

Introduction

Conducting polymers (CPs) have recently attracted the interest of researchers due to their potential optoelectronic characteristics. Carbon nanotubes (CNTs) have, on the other hand, been used as fillers in a variety of applications, notably in conjunction with functional conducting polymers Their chemical stability, electrical conductivity, and surface area are all good [15,16,17]. Polypyrrole/multi-walled carbon nanotubes composites were created utilizing an in situ oxidative polymerization method using anhydrous ferric chloride as an oxidizing agent and SDS surfactant to regulate the shape of the resultant polypyrrole. We provide a simple technique for coating multi-walled carbon nanotubes (MWCNTs) with polypyrrole to produce a one-dimensional hybrid nanostructure using an improved in situ chemical oxidative polymerization process.

Fabrication of the Thin Films
Computational Study
Characterization
Results and Discussion
Surface Morphology
Geometric Study
Optical Properties
Conclusions
Full Text
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