Doped-poly (para-nitroaniline- co-aniline): Synthesis, semiconductor characteristics, density, functional theory and photoelectric properties

Abstract

Doped-poly (aniline-co-para-nitroaniline) (PAN4NA) with a sphere-shaped was synthesized in high acidic medium (pH = 0.55) at room temperature using a facile method. The ratio between aniline and 4-nitro aniline monomer is 1:1. The molecular structure and surface morphology of the resulting doped PAN4NA are described by different techniques including FTIR, XRD and SEM. Quantum chemical calculations for PAN4NA copolymer and their functional groups were carried out using Density Functional Theory (DFT) based reactivity descriptors such as electronegativity (χ), and softness (σ). Thin films of doped PAN4NA were successfully fabricated by spin coating technique. The resulting copolymer thin film was investigated by AFM. Au/PAN4NA/p-Si/Al heterojunction diodes were fabricated. The I-V(Dark) and capacitance–voltage characteristics were applied. Photovoltaic features of Au/PAN4NA/p-Si/Al heterojunction at various intensities of white light illumination were studied. Under optimized conditions, the fabricated planar hybrid heterojunction solar cells with 95 ± 10 nm of the doped PAN4NA film exhibited a power conversion efficiency (η) of ∼5.91% and fill factor of up to 19.77% at 100 mW/cm2 illumination. On the other hand, the relatively small FF and Rs of the designated devices increased with increasing of the temperature.