title: Water dissociation on MnO(1 × 1)/Ag(100).
abstract: In this work we utilize experimental and simulation techniques to examine the molecular level interaction of water with a MnO(1 × 1) thin film deposited onto Ag(100). The formation of MnO(1 × 1)/Ag(100) was characterized by low energy electron diffraction and scanning tunneling microscopy. Density functional theory (DFT) shows MnO(1 × 1) is thermodynamically more stable than MnO(2 × 1) by ∼0.4 eV per MnO. Upon exposure to 2.5 Torr water vapor at room temperature, X-ray photoemission spectroscopy results show extensive surface hydroxylation attributed to reactivity at MnO(1 × 1) terrace sites. DFT calculations of a water monomer on MnO(1 × 1)/Ag(100) show the dissociated form is energetically more favorable than molecular adsorption, with a hydroxylation activation barrier 0.4 eV per H2O. These results are discussed and contrasted with previous studies of MgO/Ag(100) which show a stark difference in behavior for water dissociation.
authors.affiliation: University of Delaware, Department of Chemistry and Biochemistry, Newark, DE 19716, USA. jnewberg@udel.edu.
authors.forename: Chris
authors.initials: C
authors.lastname: Arble
authors.affiliation: Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, NY 11973, USA.
authors.forename: Xiao
authors.initials: X
authors.lastname: Tong
authors.affiliation: Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, 20125 Milano, Italy.
authors.forename: Livia
authors.initials: L
authors.lastname: Giordano
authors.affiliation: Dipartimento di Chimica IFM, Università di Torino and NIS-Nanostructured Interfaces and Surfaces-Centre of Excellence Center, 10125 Torino, Italy. anna.ferrari@unito.it.
authors.forename: Anna Maria
authors.initials: AM
authors.lastname: Ferrari
authors.affiliation: University of Delaware, Department of Chemistry and Biochemistry, Newark, DE 19716, USA. jnewberg@udel.edu.
authors.forename: John T
authors.initials: JT
authors.lastname: Newberg