Search

Conducting polymer blend of poly ortho-anthranilic acid and poly ortho-phenylene diamine (PANPDA) doped with HCl was synthesized in an aqueous solution using ferric chloride as an oxidizing agent and sodium dodecyl sulfate as a template. This study extends prior research in the field by characterizing the synthesized polymer blend, employing techniques such as ATR-Raman spectroscopy, SEM, and XRD. According to XRD analysis, PANPDA exhibited an orthorhombic crystal structure with a Pnn2 space group, while SEM indicated an average crystallite size (D) of 154.1 nm. Optical properties and laser photoluminescence of PANPDA films were investigated. Geometrical analysis was performed using time-dependent density functional theory (TD-DFT) and optimization via TD-DFTD/Mol3 and Cambridge Serial Total Energy Bundle (TD-FDT/CASTEP). ATR-Raman, based on TD-DFT, revealed interactions between monomers leading to polymer blend nanofiber thin films. Within a wavelength range of 190–800 nm, the optical properties of PANPDA were studied. The direct energy gap calculated using TD-DFT was 1.875 eV. The refractive index had a maximum value of 1.93 at 1.63 for the polymer blend thin film. Laser photoluminescence spectra displayed an emission peak at λmax = 621.13 nm in PANPDA films. In the heterojunction Au/(PANPDA)/p-Si/Al, the fill factor (FF) and power conversion efficiency were found to be 41.60 % and 14.61 % at 240 W/cm2, respectively. The investigated optical energy bandgap in the nanofiber blend holds promise for various energy storage and solar cell applications.

In the current exploration, an innovative 3-[(3-Cyano-1,2-dihydro-2-oxopyridin-5-yl) carbonyl]-1-methyl-4-hydroxyquinolin-2(1H)-one (CPCMHQ) structure was synthesized by condensation reaction and prepared as thin films for the first time in a simple, easy, and efficient methodology. Experiments and simulation results were used to investigate the structure and distinctive optical properties for optoelectronic applications. FT-IR spectroscopy was used to perform the vibrational spectral analysis, and the full computed vibrational analysis was made based on the potential energy distribution (PED). The outcome of the potential energy surface (PES) scan confirms that the CPCMHQ molecule has two alternative configurations, with the S1 form being the most stable for minimal energies. Density functional theory (DFT/B3LYP) was used to measure the energies using the 6-311++G (d,p) basis set. Furthermore, electronic absorption spectra in polar and non-polar solvents were considered, and the assignment of the observed bands was addressed using TD-DFT calculations. The optical band gap and other dispersion parameters of the films were determined using optical spectroscopy, which was crucial in the development of photodiode devices. Using the most accessible transitions, the optical band transitions of CPCMHQ were examined, and the direct optical gap was revealed to be 2.30 eV. In addition, the J-V properties of CPCMHQ film-based devices under various illumination indicates that photoresponsivity of CPCMHQ film-based devices increases as the reverse bias is increased, reaching the highest limit at 20 mW/cm2 for incident power. The prepared devices' photoresponsivity demonstrates that they can be used as photodetector devices.