An Amorphous Phase Precedes Crystallization: Unraveling the Colloidal Synthesis of Zirconium Oxide Nanocrystals.

Pokratath, Rohan; Lermusiaux, Laurent; Checchia, Stefano; Mathew, Jikson Pulparayil; Cooper, Susan Rudd; Mathiesen, Jette Katja; Landaburu, Guillaume; Banerjee, Soham et al. · ACS Nano · 2023

basic_science · Level V

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Abstract

One can nowadays readily generate monodisperse colloidal nanocrystals, but the underlying mechanism of nucleation and growth is still a matter of intense debate. Here, we combine X-ray pair distribution function (PDF) analysis, small-angle X-ray scattering (SAXS), nuclear magnetic resonance (NMR), and transmission electron microscopy (TEM) to investigate the nucleation and growth of zirconia nanocrystals from zirconium chloride and zirconium isopropoxide at 340 °C, in the presence of surfactant (tri-<i>n</i>-octylphosphine oxide). Through E1 elimination, precursor conversion leads to the formation of small <i>amorphous</i> particles (less than 2 nm in diameter). Over the course of the reaction, the total particle concentration decreases while the concentration of nanocrystals stays constant after a sudden increase (nucleation). Kinetic modeling suggests that amorphous particles nucleate into nanocrystals through a second order process and they are also the source of nanocrystal growth. There is no evidence for a soluble monomer. The nonclassical nucleation is related to a precursor decomposition rate that is an order of magnitude higher than the observed crystallization rate. Using different zirconium precursors (e.g., ZrBr<sub>4</sub> or Zr(O<i>t</i>Bu)<sub>4</sub>), we can tune the precursor decomposition rate and thus control the nanocrystal size. We expect these findings to help researchers in the further development of colloidal syntheses.