SURFACE CHARACTERIZATION OF MONOCLINIC ZRO2 .1. MORPHOLOGY, FTIR SPECTRAL FEATURES, AND COMPUTER MODELING

Structure and morphology of ZrO2 samples calcined at increasing temper atures have been examined by X-ray diffraction (XRD) and high resoluti on transmission electron microscopy (HRTEM), and the crystal planes mo st favorably exposed have been identified. Fourier transform infra-red (FTIR) spectroscopy has been used to describe the surface hydrated la yer of the various samples, in which are present two types of OH group s and undissociated coordinated water molecules, and to extrapolate th e surface hydrated layer of an ideal 'perfect' monoclinic ZrO2 system. Most of the surface features determined experimentally can be reprodu ced and explained by computer simulation of a regular crystal of monoc linic ZrO2 cut along some of the crystal planes that were identified a s most favorably exposed.