Yan G, Wähler T, Schuster R, Schwarz M, Hohner C, Werner K, Libuda J, Sautet P (2019)
Publication Type: Journal article
Publication year: 2019
Book Volume: 141
Pages Range: 5623-5627
Journal Issue: 14
DOI: 10.1021/jacs.9b00898
The interaction of water with metal oxides controls their activity and stability in heterogeneous catalysis and electrocatalysis. In this work, we combine density functional theory calculations and infrared reflection absorption spectroscopy (IRAS) to identify the structural motifs formed upon interaction of water with an atomically defined Co 3 O 4 (111) surface. Three principal structures are observed: (i) strongly bound isolated OD, (ii) extended hydrogen-bonded OD/D 2 O structures, and (iii) a third structure which has not been reported to our knowledge. In this structure, surface Co 2+ ions bind to three D 2 O molecules to form an octahedrally coordinated Co 2+ with a "half hydration shell". We propose that this hydration structure represents an important intermediate in reorganization and dissolution on oxide surfaces which expose highly unsaturated surface cations.
APA:
Yan, G., Wähler, T., Schuster, R., Schwarz, M., Hohner, C., Werner, K.,... Sautet, P. (2019). Water on Oxide Surfaces: A Triaqua Surface Coordination Complex on Co3O4(111). Journal of the American Chemical Society, 141(14), 5623-5627. https://doi.org/10.1021/jacs.9b00898
MLA:
Yan, George, et al. "Water on Oxide Surfaces: A Triaqua Surface Coordination Complex on Co3O4(111)." Journal of the American Chemical Society 141.14 (2019): 5623-5627.
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