Unveiling the Atomic Structure and Growth Dynamics of One-Dimensional Water on ZnO(10-10)

J Phys Chem Lett. 2022 Feb 17;13(6):1554-1562. doi: 10.1021/acs.jpclett.1c04203. Epub 2022 Feb 9.

Abstract

The adsorption and organization state of water on the metal oxide surface is of critical importance for wide fields where interface chemistry dominates. On the technically important ZnO(10-10) surface, we found water assembles into an one-dimensional (1D) chain structure at submonolayer coverage instead of the well-known half-dissociated two-dimensional (2D) island. With a combination of high resolution scanning tunneling microscopy (STM) and density functional theory (DFT) calculations, we clearly distinguished the single and double water chains, which are composed of dissociated monomers and half-dissociated dimers, respectively. Moreover, we unambiguously determined that single water molecules dissociate spontaneously before agglomerating into ordered phase, which is contrary to the proposition of previous studies. These results have deepened our understandings of the adsorbed water species on the ZnO surface, which may bring new insights into the mechanisms of water-stimulated surface reactions.