Experimental and numerical results in hydrothermal synthesis of CuInS 2 compound semiconductor nanocrystals

Abstract

Nanocrystals of CuInS 2 ternary chalcogenide semiconductors were prepared by a one-step synthesis and crystallization method using the hydrothermal technique. Different precursors (CuCl 2, CuCl—as Cu sources; In metal as In source, CS 2, S powder—as S sources), different autoclaving conditions (filling rate: 80–90%; temperature: 150–250 °C; reaction time: 5–90 h) and water as solvent were used. The precipitated products were characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM) and scanning electron microscopy (SEM). XRD spectra reveal the presence of tetragonal chalcopyrite CuInS 2, in some conditions single-phase samples are obtained. Electron microscopy images indicate that the particles are nanosized, having different morphologies, with dimensions ranging from 5 to 100 nm. The presence of aggregated “secondary particles” is also observed in the SEM images. Finally, the formation of nanocrystals in homogeneous and inhomogeneous thermal fields was studied. FLUENT TM software was used for the simulation of inhomogeneous global thermal field.