CVD precursors for transition metal oxide nanostructures: molecular properties, surface behavior and temperature effects

Integrated analyses on a series of β-diketonate-diamine transition metal complexes (M = Fe, Co, Cu, Zn), highlight the metal center influence on molecular physicochemical properties and provide understanding of the favorable behavior of these complexes as metal sources in the CVD growth of metal/metal oxides nanomaterials. The Zn complex, which shows the most symmetric coordination environment in the gas phase, is activated in contact with the heated CVD growth surface model. First principles simulations evidenced surface-induced rolling motion of the Zn precursor in the 363-750 K range, suggesting the relevance of vibrationally excited molecular rolling as activation pathway in high temperature surface chemistry.