SSBII2

The structures of the (100) and (110) surfaces of rutile TiO2 derived from x-ray diffraction data as well as scanning tunnelling microscopy and non-contact atomic force microscopy images are described. Both surfaces form stoichiometric terminations, although oxygen deficient structures are also formed, some of which have long-range order. We relate these structures to their reaction with water, formic acid and benzoic acid. While the majority of molecules bond to regular Ti sites at low temperature, in the case of benzoate with H bonding to substrate O atoms, minority species are formed by reaction at O vacancy sites. These minority sites are more stable at higher temperature.