Impact of molecular configuration on the photoluminescence and electrical characteristics of poly-pyrrol-thiazol-imine polymers films

Abstract

The optical, photoluminescence, and electrical properties of Poly(Z)-PTI and Poly(E)-PTI, two Poly-Pyrrol-Thiazol-Imine polymers with comparable chemical structures but distinct configurations, were examined. Using the dip-casting method, polymer films were deposited on ITO substrates. UV-VIS spectroscopy revealed that both polymers diverged between 500 and 800 nm, showing the impact of molecular arrangement, but showed similar absorption behavior for wavelengths shorter than 500 nm. For Poly(Z)-PTI, the direct optical energy gaps were 2.06 eV, while for Poly(E)-PTI, they were 1.78 eV. Poly(Z)-PTI displayed an emission peak at 610 nm (red) according to laser photoluminescence spectra, while Poly(E)-PTI peaked at 563 nm (green-yellow). The capacitance behavior was revealed by electrochemical impedance spectroscopy. Nyquist plots suggested an equivalent circuit model of R_s (CR_ct)(QR)(CR) for both polymers, and the relaxation times were 15.9 ns for Poly(Z)-PTI and 89.5 ns for Poly(E)-PTI. The Mott-Schottky analysis verified the n-type conductivity, revealing 2.18 × 10¹⁶ cm^− 3 carrier densities for Poly(Z)-PTI and 1.78 × 10¹⁶ cm^− 3 for Poly(E)-PTI. At lower frequencies, both polymers exhibited limited conductivity and large dielectric constants. Insights into the possible uses of Poly-Pyrrol-Thiazol-Imine polymers in electrical and optoelectronic devices are provided by this study, which emphasizes the influence of molecular configuration on these polymers’ characteristics.