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

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 onedimensional (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 halfdissociated 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.

Automated summary

In this study, it was found that water forms one-dimensional chain structures on the ZnO(10-10) surface at submonolayer coverage. Using high-resolution scanning tunneling microscopy and density functional theory calculations, the single and double water chains were clearly distinguished, along with their compositions. Additionally, it was discovered that single water molecules spontaneously dissociate before aggregating into an ordered phase.