Vibrational sum frequency generation (VSFG) spectroscopy of water adsorption on surfaces of yttria-stabilized cubic zirconia (YSZ)

Yttria-stabilized zirconia (YSZ) is found in a wide range of applications, from solid-oxide fuel cells to medical devices and implants. A molecular-level understanding of the hydration of YSZ surfaces is essential for optimizing its performance and durability in these applications. Nevertheless, only a limited amount of literature is available about the surface hydration of YSZ single crystals. In this study, we employ surface-sensitive non-linear vibrational sum frequency generation spectroscopy to investigate the hydration of YSZ(100), (110), and (111) single crystal substrates under ambient laboratory conditions. Three types of hydroxyl groups were identified at all three YSZ-D2O interfaces: (i) hydroxyls on the metal sites of Zr or Y resulting from the dissociative chemisorption of water, (ii) hydroxyls from proton adsorption to O sites formed from water dissociation, and (iii) hydroxyl groups as part of the physisorbed water at the interface.