Maria C. Gelabert, Wagner College, Staten Island, NY
For subcritical hydrothermal synthesis, crystal habit is sensitive to many experimental parameters, so aqueous conditions influence crystal shapes. However, the current methods for obtaining a particular habit remain largely empirical, relying on a large number of experiments for achieving any degree of prediction and reproducibility. The overall goal in this research is to establish empirical relationships between aqueous conditions and crystal habit that would enable some degree of predictability for solid state technologies relying on particular crystal habits for optimization of properties. Zincite is being used as a model for its wide technological applicability as well as the ability of Zn2+ to bind to many coordinating species, a primary means by which aqueous conditions are varied. A range of synthesis conditions have used various ligands�EDTA, ethylenediamine-N,N'-diacetic acid (EDDA), , diethylenetriaminepentaacetic acid (DTPA), diethylenetriamine (dien), triethylenetetramine (trien), tetraethylenepentamine (tetren) and pentaethylenehexamine (penten)�and zinc salt counterions acetate, chloride and sulfate. Optical microscopy has revealed that crystal sizes show no apparent correlation with complex stability, even though the presence of a chelating ligand in itself affects crystal size significantly. In order to connect aqueous chemistry to directional growth rates leading to variations in crystal habit, OLI Systems speciation software has been used to determine supersaturation levels for zinc ions believed to participate in crystal growth. Comparison of supersaturation calculations with crystal habit will be presented for all studied ligands, in light of establishing a reliable prediction scheme for crystal habit in the subcritical hydrothermal regime.