Trapping Nitric Oxide by Surface Hydroxyls on Rutile TiO<sub>2</sub>(110) Shao-Chun Li Peter Jacobson Shu-Lei Zhao Xue-Qing Gong Ulrike Diebold 10.1021/jp209290a.s001 https://acs.figshare.com/articles/journal_contribution/Trapping_Nitric_Oxide_by_Surface_Hydroxyls_on_Rutile_TiO_sub_2_sub_110_/2558017 Hydroxyls are omnipresent on oxide surfaces under ambient conditions. While they unambiguously play an important role in many catalytic processes, it is not well-understood how these species influence surface chemistry at atomic scale. We investigated the adsorption of nitric oxide (NO) on a hydroxylated rutile TiO<sub>2</sub>(110) surface with scanning tunneling microscopy (STM), X-ray/ultraviolet photoemission spectroscopy (XPS/UPS), and density functional theory (DFT) calculations. At room temperature adsorption of NO is only possible in the vicinity of a surface hydroxyl, and leads to a change of the local electronic structure. DFT calculations confirm that the surface hydroxyl-induced excess charge is transferred to the NO adsorbate, which results in an electrostatic stabilization of the adsorbate and, consequently, a significantly stronger bonding. 2012-01-19 00:00:00 surface hydroxyl Surface Hydroxyls room temperature adsorption TiO oxide surfaces Trapping Nitric Oxide DFT calculations species influence surface chemistry STM ambient conditions XPS nitric oxide scanning tunneling microscopy adsorbate