Water on Oxide Surfaces: A Triaqua Surface Coordination Complex on Co3O4(111)

Yan G, Wähler T, Schuster R, Schwarz M, Hohner C, Werner K, Libuda J, Sautet P (2019)

Publication Type: Journal article

Publication year: 2019

Journal

Book Volume: 141

Pages Range: 5623-5627

Journal Issue: 14

DOI: 10.1021/jacs.9b00898

Abstract

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 Co3O4(111) surface. Three principal structures are observed: (i) strongly bound isolated OD, (ii) extended hydrogen-bonded OD/D2O structures, and (iii) a third structure which has not been reported to our knowledge. In this structure, surface Co2+ ions bind to three D2O molecules to form an octahedrally coordinated Co2+ 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.

Authors with CRIS profile

Involved external institutions

University of California Los Angeles (UCLA) United States (USA) (US)

How to cite

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://dx.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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