In-situ XRD investigation of selenization of CZTS nanoparticles

CZTS nanoparticles produced by a wet-chemical method were mixed with different proportions of Selenium powder to observe the sulfur selenium exchange reaction during selenization and the effect of the varying Selenium supply on the tetragonal ordering and recrystallization of the originally disordered cubic structure. Evaluation of the diffraction angle shift of the reflections in in-situ XRD measurements during the selenization process yields the temperature dependent composition of the CZTSSe. The presence of selenium in small to medium amounts seems to benefit the ordering of the cations as well as the crystallite growth, whereas very high proportions seem to reverse the positive effects.