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Issue 36, 2016
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Water dissociation on MnO(1 × 1)/Ag(100)

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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.

Graphical abstract: Water dissociation on MnO(1 × 1)/Ag(100)

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Publication details

The article was received on 13 jún. 2016, accepted on 19 ágú. 2016 and first published on 19 ágú. 2016


Article type: Paper
DOI: 10.1039/C6CP04115A
Citation: Phys. Chem. Chem. Phys., 2016,18, 25355-25363
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    Water dissociation on MnO(1 × 1)/Ag(100)

    C. Arble, X. Tong, L. Giordano, A. M. Ferrari and J. T. Newberg, Phys. Chem. Chem. Phys., 2016, 18, 25355
    DOI: 10.1039/C6CP04115A

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