Simulation studies of the Fourier transform infrared spectra of zinc sulfide nanoparticles

Zinc sulfide nanoparticles were synthesized through a controlled chemical precipitation process. Nanoparticle sample with varying average particle sizes were prepared by annealing the as prepared sample in nitrogen atmosphere at different temperatures. The fine structure of the sample was analyzed by high resolution transmission microscopy (HRTEM) imaging. Fourier transform infrared spectra of the samples were recorded and simulated using generalized effective medium approximation theory (GEMA), which often incorporates approximations for the shape of the particle. The absorption characteristics of nanoparticles are highly sensitive to their shape and the potential distribution of particle shapes must be carefully considered while interpreting the Fourier transform infrared spectra (FT-IR) using simulation studies. In this study simulation of the FT-IR spectra of ZnS nanoparticles is carried out for spheroid shape in disc and cylindrical modes. The effects of crystalline geometry, damping constant and filling factor on the spectral features were also analyzed. • Absorption characteristics of zinc sulfide (ZnS) nanoparticles are crucial due to their unique optical properties and various technological applications in photocatalysis, optoelectronic devices, biomedical applications, supercapacitors and sensors. • Simulation of the Fourier transform infrared (FTIR) spectra of nanostructured zinc sulfide samples were analyzed using generalized effective medium approximation theory, for spheroid shape in disc and cylindrical modes by giving emphasize on particle shape. • The effects of crystalline geometry, damping constant and filling factor on the spectral features were discussed.