Bonding of Methyl Phosphonate to TiO2(110)

作者：Pang C L; Watkins M; Cabailh G; Ferrero S; Ngo L T; Chen Q; Humphrey D S; Shluger A L; Thornton G^*

来源：Journal of Physical Chemistry C, 2010, 114(40): 16983-16988.

DOI：10.1021/jp1018923

We have used scanning tunneling, microscopy (STM), noncontact atomic force microscopy (NC-AFM), low energy electron diffraction (LEED), and ab initio calculations to study adsorbates resulting from exposure of rutile TiO2(110)1 x 1 to methyl phosphonic acid (Ch(3)P=O(OH)(2)). At low exposures, adsorbates appear on the 5-fold coordinated Ti (Ti-5c) rows. As the coverage of adsorbates approaches 0.5 ML. STM images show an ordered 2 x 1 overlayer consistent with LEED. We propose that the phosphonic acid is deprotonated with the resulting phosphonate bridging across two adjacent Ti-5c atoms in the [001] direction. This bridging conformation would lead to the observed 2 x 1 overlayer and is analogous to that found for a range of carboxylates adsorbed on TiO2(110).

• 出版日期2010-10-14