Conducting polymer-based inorganic/organic
nanocomposites has become
a popular candidate as eco-friendly thermoelectric (TE) materials
in the past few years. This work reports a comprehensive study of
the TE properties of tin sulfide (SnS)/polypyrrole (PPy) nanocomposites
for the first time. The nanocomposites are prepared via two, low-cost
steps: a chemical reaction to synthesize the SnS nanoparticles, followed
by an in situ polymerization reaction. The TE properties of these
SnS/PPy composites in a temperature interval of 303–373 K are
investigated by tuning the content of SnS nanoparticles in the polymer
matrix. The observations are discussed based on the results from structure
analysis (X-ray diffraction), optical properties (UV–vis),
surface morphology analysis (field emission scanning electron microscopy
and high-resolution transmission electron microscopy), and chemical
composition analysis (Fourier transform infrared spectroscopy, energy
dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy).
In order to analyze the orbital contribution and the carrier transport
mechanism in the SnS/PPy composites, first-principles density functional
theory (DFT) calculations are employed. The electronic band structure
and density of states spectra clearly dictate that the formation of
nanocomposite results in a decrement in the band gap, which might
be a reason for the enhanced TE response of the nanocomposites. TE
parameters, such as Seebeck coefficient (S), electrical
conductivity (σ), and power factor (PF), are enhanced in the
composites than in the pure PPy. The study reports maximum S (∼50.67 μV K–1), σ
(∼32.26 S cm–1), and PF (∼6 μW
m–1 K–2) values for composites
containing 20, 10, and 20 wt % of SnS nanoparticles. Among the synthesized
samples, the maximum ZT of ∼0.86 × 10–2 is achieved for PPy/20 wt % SnS at 373 K. This work
concludes that the inclusion of SnS nanoparticle fillers in the conductive
PPy matrix is an efficient route to enhance the TE performance of
PPy. The newly fabricated nanocomposite is a novel, low-cost, nontoxic
TE material relevant to green energy generation and environmental
remediation.