Li, Shao-Chun Jacobson, Peter Zhao, Shu-Lei Gong, Xue-Qing Diebold, Ulrike Trapping Nitric Oxide by Surface Hydroxyls on Rutile TiO<sub>2</sub>(110) 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. 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 2012-01-19
    https://acs.figshare.com/articles/journal_contribution/Trapping_Nitric_Oxide_by_Surface_Hydroxyls_on_Rutile_TiO_sub_2_sub_110_/2558017
10.1021/jp209290a.s001