Charge Behavior of Terminal Hydroxyl on Rutile TiO₂(110)

Titanium dioxide (TiO2) is of considerable interest as a photocatalyst and a catalyst support. Surface hydroxyl groups (OH) are the most common adsorbates on the TiO2 surface and are believed to play crucial roles in their applications. Although the characteristics of bridging hydroxyl (OHbr) have been well understood, the adsorption structure and charged states of terminal hydroxyl (OHt) have not yet been experimentally elucidated at an atomic...