Metal oxide decorated polyaniline based multifunctional nanocomposites: An experimental and theoretical approach

Abstract

When combined with metal oxide nanoparticles, conducting polymers may result in unique or synergistic effects in their properties. Fe/Mn/CuO/PANI (FMC/PANI) based nanocomposites (NCs) were explored for five different novel applications. FTIR, UV–visible, XRD, Raman, and FESEM methods were used to identify the NCs. The anti-corrosive, photocatalytic, magnetic, antibacterial, and electrical properties were investigated by experimental and theoretical (DFT) methods. The computational technique was used for frequency, geometry optimization, and energy study. Different thermodynamic, kinetic, and molecular orbital parameters were investigated by the DFT study for the NCs. The anti-corrosive, photocatalytic, antibacterial, electrical, and magnetic properties of NCs were investigated at different concentrations. The FMC/PANI NCs show a maximum of 85 ± 0.2% CIE for MS in 1.0 M HCl solution. The magnetic study proves the paramagnetic nature of NCs. The photocatalytic activity of FMC/PANI NCs was investigated against MO dye under UV light. The antibacterial property of FMC nanoparticles (NPs) was investigated against gram-positive and gram-negative bacterial strains, that is, B. subtilis and E. coli, respectively. The ZOI was compared with six standard antibiotics and found to be comparable with common antibiotics. The FMC/PANI-based NCs were proven to be perfect photocatalytic, magnetic, antibacterial, electrical conductors, and anti-corrosive agents.