TY - DATA T1 - Trapping Nitric Oxide by Surface Hydroxyls on Rutile TiO2(110) PY - 2012/01/19 AU - Shao-Chun Li AU - Peter Jacobson AU - Shu-Lei Zhao AU - Xue-Qing Gong AU - Ulrike Diebold UR - https://acs.figshare.com/articles/journal_contribution/Trapping_Nitric_Oxide_by_Surface_Hydroxyls_on_Rutile_TiO_sub_2_sub_110_/2558017 DO - 10.1021/jp209290a.s001 L4 - https://ndownloader.figshare.com/files/4201093 KW - surface hydroxyl KW - Surface Hydroxyls KW - room temperature adsorption KW - TiO KW - oxide surfaces KW - Trapping Nitric Oxide KW - DFT calculations KW - species influence surface chemistry KW - STM KW - ambient conditions KW - XPS KW - nitric oxide KW - scanning tunneling microscopy KW - adsorbate N2 - 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 TiO2(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. ER -