Optical, structural and morphological study of CdS nanoparticles: Role of sulphur source

Cadmium sulfide (CdS) nanoparticles were synthesized by simple and low cost homemade hot injection method at low process temperature using different sulphur sources. The effects of sulphur concentration on the structural, morphological, and optoelectronic properties of synthesized CdS films were studied using a range of characterization techniques: X-ray diffraction (XRD), Raman spectroscopy, field emission scanning electron microscopy (FESEM) and UV-Visible spectroscopy. The XRD studies revealed the formation of hexagonal type CdS nanoparticles. The varying morphology dependence on the sulphur source was ascertained from FESEM analysis. The longitudinal optical (LO) phonon vibrational modes of CdS were assigned in Raman spectra at 300 and 600 cm−1. The band gap of the CdS particles was estimated to be 2.30 eV from Tauc’s plots. Consistent with the experimental results, our first-principles DFT calculations predict the band gap of CdS nanoparticles to increase with decreasing S concentration: Cd52S52 (2.38 eV) Cd52S51 (2.52 eV) and Cd52S50 (2.65 eV), with both the valence and conduction band edges demonstrated to be dominated by S-p states