Polymeric solar cell with 18.06% efficiency based on poly (para-nitroaniline)/TiO2 composites

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.

Automated summary

In this paper, a poly para-nitro aniline (PPNN)/titanium (IV) oxide (TiO2)NPs composite was synthesized and thin films were fabricated using sol-gel and physical vapor deposition techniques. The structural and morphological properties of the films were investigated using X-ray diffraction (XRD) and scanning electron microscope (SEM). The optical properties of the films were characterized using reflectance (R), absorbance (Abs), and transmittance (T) measurements, while the geometrical characteristics were studied through TD-DFT calculations and optimization. The obtained results suggest that [PPNN/TiO2]MNC thin films are promising materials for solar cells and optoelectronic devices.