Unraveling the synthesis, structure, and properties of nanoscale zirconia

Energy and memory storage systems are critical components in various applications, ranging from consumer electronics to renewable energy. Research is progressing for enhancing the performance and capabilities of these technologies as well as enabling new applications. Materials exhibiting switchable polarization behaviors such as ferroelectricity have the potential to improve developments in this field. Nanomaterials possess unique physical, chemical, and biological properties that differ from their bulk counterparts, making them attractive for a wide range of applications. Their properties are often determined by size, shape, and structure, so understanding the relationship between synthesis and structure is crucial for optimizing their properties. In this dissertation, we investigate the formation mechanism of zirconia nanocrystals using a powerful combination of X-ray scattering, NMR spectroscopy, quantum chemical calculations, and chromatography. We identify the active precursor species and amorphous intermediate in the reaction mixture. Based on these results, we hypothesized an alternative mechanism for precursor decomposition and nanocrystal formation. By using various precursor combinations, the kinetics of the reaction can be controlled. We demonstrated several strategies for size tuning, which is particularly challenging for group 4 and 5 metal oxides. Furthermore, we carried out a thorough structural characterization of zirconia nanocrystals using pair distribution function analysis. Our findings revealed a distinct local structure distortion in the material. Interestingly the distortion induces switchable polarization properties to ZrO2.