LAUSR

Abstract A crystalline protonated-poly (ortho phenylenediamine) microrods [POPDA] with ladder-type structure was elaborated at room temperature in an acidic medium. The synthesis method was based on an oxidative polymerization, including sodium dodecyl sulphate [POPDA-SDS] and glycine [POPDA-Gly]. In case of absence or soft template presence, thin films from the considered polymers were fabricated by physical vapor deposition (PVD). Both the resulting polymer flakes and prepared thin films were studied via different techniques such as XRD, FTIR, TGA, SEM, UV–Vis, while optical properties are discussed in detail. The optimization of the samples was performed using Cambridge Serial Total Energy Package (CASTEP) program and density functional theory (DFT) by DMol3. Structural properties of resulting polymers were determined by XRD and FT-IR analysis. XRD results of thin films showed (Monoclinic 2) crystal structure and showed an increase in crystallite size for the polymer, prepared in the presence of SDS surfactants. The surface morphology study revealed the existence of a smooth surface with a significant number of uniform microrods. The optical calculation showed that absorption index k, refractive index n, dielectric constants, and optical conductivity decrease with photon energy increase. The optical properties of simulated FTIR, XRD, and CATSTEP of the considered polymers present a respectable level of experimental study agreement. The polymer thin films present a promising case to be the right candidate for optoelectronics and solar cell applications.