AI-assisted computational assessment of experimentally characterized CFNTS thin films for photovoltaic decision-making

Abstract

In this study, structural, optical, and compositional aspects of CuFeNiSnS (CFNTS) thin films have been prepared and developed from the spray pyrolysis technique (SPT) as a novelty. The films of CFNTS were grown on a glass substrate with a temperature condition of (350±5Co) and a spray rate of 12 ml/min. X-ray diffraction (XRD) indicated that the films are polycrystalline in nature and are tetragonal in crystal formation. Energy-dispersive X-ray spectroscopy (EDX) indicated the presence of Cu, Fe, Ni, Sn, and S, implying that the CFNTS deposited belong to the CFNTS phase with high purity. The Fourier-transform infrared spectroscopy (FTIR) illustrated the chemical bonds of the associated compound. Scanning electron microscopy (SEM) showed the homogeneity, compactness, and dense structure of the films. The optical properties—including absorbance, absorption coefficient, extinction coefficient, refractive index, optical conductivity, and both the real and imaginary parts of the dielectric constant—decreased as the wavelength increased, whereas the transmittance increased. The optical band gap measured for the CFNTS thin film was 1.8 eV and found to be suitable for photovoltaic (PV) applications.