Synthesis, characterization, and photosensitizer applications for dye-based on ZrO2- acriflavine nanocomposite thin film [ZrO2 +ACF]C

A novel ZrO2-acriflavine nanocomposite thin film [ZrO2 + ACF](C) complex as a powder form was synthesized and prepared as a thin film using the Sol-Gel spin coating tool. Various methods of characterization have been utilized, such as FTIR, UV-Vis, SEM and optical properties. Optimization by DMol(3) and CASTEP was implemented utilizing DFT. The chemical structure for [ZrO2 + ACF](C) as nanocomposite family drugs was confirmed by its spectroscopic and structural properties. The average crystallite size [ZrO2+ ACF](C) is 59.76 nm. Furthermore. The optical energy band gap calculated by Tauc's equation is 2.291 eV and 2.117 eV for [ACF](TF) and [ZrO2 + ACF](C) films, respectively. Whereas the calculated by DFT (DMol3) are 2.213 eV and 1.633 eV for [ACF](TF) and [ZrO2 + ACF](C), respectively. In addition, the optoelectrical parameters have been computed for [ACF](TF) and [ZrO2 + ACF](C) films. The simulated values obtained by CASTEP in DFT for the optical parameters of [ZrO2 + ACF](C) are in good agreement with the experimental values. The [ZrO2 + ACF](C) presents a good candidate for optoelectronics and solar cell applications. (C) 2021 Elsevier B.V. All rights reserved.

Automated summary

A novel ZrO2-acriflavine nanocomposite thin film was synthesized and characterized. The film showed good optical properties and crystallite size, making it a promising candidate for optoelectronics and solar cell applications.