Poly(ortho-aminophenol)/polypyrrole blend for solar cell applications

HCl-doped conducting poly(ortho-aminophenol) and polypyrrole blend (POAP/PPy) was synthesized in aqueous media using ferric chloride as an oxidant and sodium dodecyl sulfate as a soft template. To expand upon previous research in this area, the present copolymer was characterized using ATR-Raman spectroscopy, scanning electron microscopy (SEM), and X-ray diffraction (XRD). XRD analysis revealed an orthorhombic crystal structure for the POAP/PPy blend with a Pnn2 space group, while SEM determined an average crystallite size of 69.44 nm. The optical properties of POAP/PPy films were investigated through UV–Vis spectroscopy. Additionally, computational modeling involving time-dependent density-functional theory (TD-DFT), optimized using TD-DFTD/Mol³ and TD-FDT/CASTEP, was employed to study the molecular geometry. ATR-Raman spectra derived from TD-DFT calculations suggest an interaction between the two monomers, leading to the formation of copolymer nanofiber thin films. The promising characteristics of the resulting polymer blend thin film indicate its potential as a suitable material for polymer solar cell applications.