Structural Evolution of Water on ZnO(100): From Isolated Monomers via Anisotropic H‐Bonded 2D and 3D Structures to Isotropic Multilayers
Open Access
- 22 October 2019
- journal article
- research article
- Published by Wiley in Angewandte Chemie
- Vol. 58 (49), 17751-17757
- https://doi.org/10.1002/anie.201910191
Abstract
The surface chemistry of water on zinc oxides is an important topic in catalysis and photocatalysis. Interaction of D2O with anisotropic ZnO(10 0) surfaces was studied by IR reflection absorption spectroscopy using s‐ and p‐polarized light incident along different directions. Interpretation of the experimental data is aided using isotopologues and DFT calculations. The presence of numerous species is revealed: intact monomers, a mixed 2D D2O/OD adlayer, an anisotropic bilayer, and H‐bonded 3D structures. The isolated water monomers are identified unambiguously at low temperatures. The thermally induced diffusion of water monomers occurs at elevated temperatures, forming dimers that undergo autocatalytic dissociation via proton transfer. Polarization‐ and azimuth‐resolved IR data provide information on the orientation and strength of H‐bonds within the 2D and 3D structures. Ab initio molecular dynamics simulations reveal strong anharmonic couplings within the H‐bond network.This publication has 51 references indexed in Scilit:
- Kooperative Bildung einer langreichweitig geordneten Wasserschicht auf der Fe3 O4 (111)-OberflächeAngewandte Chemie, 2018
- Cooperative Formation of Long‐Range Ordering in Water Ad‐layers on Fe3O4(111) SurfacesAngewandte Chemie, 2018
- Water Interaction with Iron OxidesAngewandte Chemie, 2015
- Water Interaction with Iron OxidesAngewandte Chemie, 2015
- Water adsorption and the wetting of metal surfacesSurface Science Reports, 2009
- Two Pathways for Water Interaction with Oxygen Adatoms onPhysical Review Letters, 2009
- New Benchmark for Water Photooxidation by Nanostructured α-Fe2O3 FilmsJournal of the American Chemical Society, 2006
- The interaction of water with solid surfaces: fundamental aspects revisitedSurface Science Reports, 2002
- The interaction of water with solid surfaces: Fundamental aspectsSurface Science Reports, 1987
- Electrochemical Photolysis of Water at a Semiconductor ElectrodeNature, 1972