Coadsorption of gold with chlorine on CeO2 (111) surfaces: A first principles study*
Lu Zhan-Shenga), He Bing-Lingb), Ma Dong-Weic), Yang Zong-Xiana)†
       
Optimized surface structures: (a) top view and (b) side view for clean stoichiometric CeO2 (111) with a 3×3 supercell. Here and in the following the “×” indicates the adsorption sites for Au or Cl, and red, light yellow, golden yellow, and green balls represent the O, Ce, Au, and Cl atoms, respectively. The abbreviation “bri” means bridge.