Abstract
The surface reactivity of TiO22 is often governed by hydroxyl groups. Fourier transform infrared (FTIR) spectroscopy is the most commonly used method to study surface hydroxyls. However, interpretation of the observed bands of powder samples is not straightforward. In this work, we propose a facet-specific assignment of the surface hydroxyls of pyrogenic TiO2 (commonly known as P25 and P90) by comparison between experimentally observed FTIR bands of P90, rutile, and anatase with calculated vibrational frequencies for well-defined surface facets using density functional theory (DFT). Titania was calcined for extended periods in extremely dry O2 to remove carbonates and water for diffuse reflectance infrared spectroscopy (DRIFTS) measurements of the most thermally stable hydroxyls remaining in the 300 – 400 °C range. Reactions of the dehydroxylated surfaces with H2(D2) provided further insight into hydroxyl formation. Theoretical assignments of hydroxyls were based on the calculated thermal stability of hyd...
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
