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Water dissociation on MnO(1 × 1)/Ag(100)
Chris Arble1, Xiao Tong2, Livia Giordano3
1University of Delaware, Department of Chemistry and Biochemistry, Newark, DE 19716, USA. jnewberg@udel.edu.
Physical Chemistry Chemical Physics : PCCP
|October 7, 2016
Summary
Water readily hydroxylates on manganese oxide (MnO) thin films on silver, forming stable surface hydroxyl groups. This contrasts with similar magnesium oxide films, indicating unique MnO reactivity for water dissociation.
Area of Science:
- Surface science
- Materials chemistry
- Computational chemistry
Background:
- Understanding metal oxide surface interactions with water is crucial for catalysis and corrosion.
- Manganese oxide (MnO) films on silver (Ag(100)) offer a model system for studying these phenomena.
- Previous studies on MgO/Ag(100) provide a comparative baseline.
Purpose of the Study:
- To investigate the molecular-level interaction of water with MnO(1 × 1) thin films on Ag(100).
- To determine the stability and adsorption behavior of water on this surface.
- To elucidate the mechanism and energetics of water dissociation.
Main Methods:
- Experimental characterization using low energy electron diffraction (LEED) and scanning tunneling microscopy (STM).
- Surface analysis via X-ray photoemission spectroscopy (XPS).
- Theoretical calculations using Density Functional Theory (DFT).
Main Results:
- MnO(1 × 1) films on Ag(100) were successfully formed and characterized.
- Extensive surface hydroxylation was observed upon water vapor exposure, indicating high reactivity.
- DFT calculations confirmed that dissociated water is energetically favored over molecular adsorption, with a low activation barrier for hydroxylation.
Conclusions:
- The MnO(1 × 1)/Ag(100) surface exhibits significant reactivity towards water, leading to facile dissociation and hydroxylation.
- The observed behavior differs markedly from that of MgO/Ag(100), highlighting the unique properties of MnO.
- These findings provide fundamental insights into water-surface interactions on transition metal oxides.
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