title: Carbonate formation and decomposition on atomic oxygen precovered Au(111).
abstract: Experimental results supported by density functional theory calculations show carbonate formation and reaction on atomic oxygen precovered Au(111). Oxygen mixing is observed in temperature-programmed desorption measurements when a Au(111) precovered with 16O is exposed to isotopically labeled CO2 (C18O2). The presence of 16O18O is attributed to surface carbonate formation and decomposition at surface temperatures ranging from 77-400 K and initial oxygen coverages ranging from 0.18-2.1 ML. A reaction probability on the order of 10(-4) and an activation energy of -0.15+/- 0.08 eV are estimated for this reaction.
authors.affiliation: University of Texas at Austin, Departments of Chemical Engineering and Chemistry, Center for Nano- and Molecular Science and Technology, and Texas Materials Institute, 1 University Station C0400, Austin, Texas 78712-0231
authors.forename: Rotimi A
authors.initials: RA
authors.lastname: Ojifinni
authors.forename: Jinlong
authors.initials: J
authors.lastname: Gong
authors.forename: Nathan S
authors.initials: NS
authors.lastname: Froemming
authors.forename: David W
authors.initials: DW
authors.lastname: Flaherty
authors.forename: Ming
authors.initials: M
authors.lastname: Pan
authors.forename: Graeme
authors.initials: G
authors.lastname: Henkelman
authors.forename: C Buddie
authors.initials: CB
authors.lastname: Mullins