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Water on Oxide Surfaces: A Triaqua Surface Coordination Complex on Co3O4(111)
George Yan1, Tobias Wähler2, Ralf Schuster2
1Department of Chemical and Biomolecular Engineering , University of California, Los Angeles , Los Angeles , California 90095 , United States.
Journal of the American Chemical Society
|March 22, 2019
Summary
Water interaction with cobalt oxide surfaces reveals new hydration structures. This research advances understanding of metal oxide surfaces in catalysis and electrocatalysis.
Area of Science:
- Surface Science
- Catalysis
- Computational Chemistry
Background:
- Water interaction with metal oxides is crucial for heterogeneous catalysis and electrocatalysis.
- Understanding surface structures is key to controlling material activity and stability.
Purpose of the Study:
- To identify structural motifs formed by water interacting with a cobalt oxide (Co3O4(111)) surface.
- To characterize novel hydration structures on metal oxide surfaces.
Main Methods:
- Density functional theory (DFT) calculations.
- Infrared reflection absorption spectroscopy (IRAS).
Main Results:
- Observed three principal structures: isolated OD, hydrogen-bonded OD/D2O, and a novel "half hydration shell" structure.
- The novel structure involves surface Co2+ ions binding to three D2O molecules, forming an octahedrally coordinated Co2+.
- This structure is proposed as an intermediate in oxide surface reorganization and dissolution.
Conclusions:
- Identified novel hydration structures on Co3O4(111) surfaces.
- The "half hydration shell" structure provides new insights into water-oxide interactions.
- These findings are relevant for understanding and designing metal oxide catalysts and electrocatalysts.
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