Fabrication, characterization and optical properties of poly(p-phenylenediamine- co–o-aminophenol) nanostructure thin film.

Poly(p-phenylenediamine- co–o-aminophenol) nanostructure thin film [PpPDoAP]TF was synthesized and prepared as a thin film with ≅ 100 ± 2 nm using the spin-coating method. Different characterization techniques for [PpPDoAP]TF like FTIR, UV–Vis spectroscopy, and optical properties have been studied. The resulted x-ray diffraction (XRD) and scanning electron microscope (SEM) data have been employed to study interface composites. Density function theory (DFT) was used for optimization by DMol3 and CASTEP. Spectroscopic and structural characteristics for the thin film have confirmed the chemical composition and XRD observations revealed the same crystal structure. Combined between experimental and TDD-DFT data, the average crystallite size and composite interface are 71.87 nm and orthorhombic symmetry (a = 7.38(2); b = 18.09(6); c = 26.09(4) Å and α = β = γ = 90°) with space group (Pmcn) for the thin film. It is found that the calculated energy gap by DFT and experimental method are 2.523 and 2.504 eV, respectively. The electronic transition of [PpPDoAP]TF has direct allowed transition. Besides, the optoelectrical parameters have been calculated for the film like n(λ), k(λ), dielectric constant, and optical conductivity. CASTEP simulated values are consistent with the experimental values for optical parameters of [PpPDoAP]TF. The fabricated thin film can be used as a candidate material for optoelectronic devices and solar cells. [ABSTRACT FROM AUTHOR]