Abstract
A novel synthesis of 1-(diphenylphosphanyl)-2-((diphenylphosphanyl) methyl)-3-methylbut-2-en-1-one nanostructure thin film [DPPB](TF) was doped with zinc oxide nanoparticles [ZnO](NPs) to study the optical properties of [DPPB+ZnO](C) nanocomposite films. Different characterization techniques for [DPPB+ZnO](C) such as FTIR, XRD, SEM, TEM, UV-Vis and optical properties were used. SEM showed a good dispersion of zinc oxide nanoparticles [ZnO](NPs) on [DPPB](TF) film surface. The dielectric constant epsilon() and optical conductivity () properties increased and demonstrated wave-like performance with increasing [ZnO](NPs) ratio at h nu range of 0.7-5.0 eV. Zinc content [ZnO](NPs) increases led to the formation of a wide variety of 3D-semiconductor networks within the [DPPBI](TF) film matrix, which increases optical conductivity. The optimization process was carried out utilizing DFT via two methods: CASTEP and DMol(3). Application of Tauc's equation and the single oscillator Wemple-Didomenico model on nanocomposite thin films (Experimental application). There is a decrease in (E-g(Opt)) values after the formation of nanocomposite thin film with [ZnO](NPs), indicating that (EOptg) increases upon nanocomposite formation with [ZnO](NPs). The simulated FTIR, XRD, and optical properties by Gaussian software and CATSTEP are in significant agreement with the experimental study. The novel synthesized [DPPB+ZnO](C) nanocomposite thin film provides a good candidate for organic/inorganic heterojunction diode and solar cell applications.