Investigation of non-covalent interactions in Polypyrrole/Polyaniline/Carbon black ternary complex for enhanced thermoelectric properties via interfacial carrier scattering and π-π stacking.

The thermoelectric (TE) performance of conducting polymers can be improved by the incorporation of carbon nanomaterials. In this work, the impact of carbon black (CB) on polypyrrole (PPy) and polypyrrole/polyaniline (PPy/PANI) binary composite have been investigated. Herein, PPy/PANI binary composite was initially prepared through chemical oxidative polymerization and then solution mixed with CB to form PPy/PANI/CB ternary nanocomposite. The structural and morphological analyses confirmed the formation of composites, and the strong interaction present between polymer matrix and CB. This was further confirmed by theoretical study, which showed strong noncovalent interaction and high complex stability between the materials. The thermoelectric results showed that both the electrical conductivity (σ) and Seebeck coefficient (S) has been increased with the increase in CB content (from 10 wt% to 30 wt%) and temperature (303 K to 373 K), while the thermal conductivity (κ) increase was low. The ternary nanocomposite involving 30 wt% of CB was found to be the most promising material which showed an enhanced power factor (PF) of 0.0251 μW/mK and high figure of merit (ZT) of 4.37x10 at 370 K. The enhancement in ZT for PPy/PANI/CB ternary composite is 2 times, 316 times, 17.3 times, 3.97 times, 11.7 times, and 6.8 times greater than other samples. The enhancement in power factor and ZT was due to energy filtering effect and strong non-covalent interactions between the homopolymers and CB.