Abstract
In this paper, the poly para-nitro aniline [PPNN]/titanium (IV) oxide [TiO2]NPs composite was synthesized and investigated followed by the fabrication of thin film. The sol gel and physical vapor deposition (PVD) techniques have been successfully used to deposit [PPNN/TiO2]MNC thin film with good adhesion and film thickness approximately equal to 100 +/- 3 nm. The structural and morphological properties of [PPNN/TiO2]MNC thin films were studied by X-ray diffraction (XRD) and scanning electron microscope (SEM). The measured optical properties of [PPNN/TiO2]MNC thin films as Reflectance (R) in the UV-vis-NIR spectrum, Absorbance (Abs), and Transmittance (T) have been employed to probe the optical characteristics at room temperatures. As well as the calculations of TD-DFT (timedependent density functional theory) and the optimization through TD-DFT/Mol3 and Cambridge Serial Total Energy Bundle (TD-FDT/CASTEP) were employed to study the geometrical characteristics. The rectifier ration (RR), indeality factor (n) and barrier potential phi B (eV) values are 0.74 x 105, 2.98 and 1.05 at 375 K, respectively. The Au/[PPNN/TiO2]MNC/p-Si/Al heterojunction device's power conversion efficiency are 18.06 at 200 W. cm-2. The obtained results candidates [PPNN/TiO2]MNC thin film as a good material for solar cells and optoelectronic devices.