Abstract
We have investigated the structure of monolayer water molecules on a hydroxylated (001) plane of Cr2O3 using GCMC simulations. The water molecules are adsorbed commensurately in the center of three surface hydroxyl groups by directing the proton of a water hydroxyl group towards the solid surface. Another type of water is adsorbed by bridging anchored water molecules, whereby, a two-dimensional (2D) condensed layer is formed. It was ascertained that 2D condensed monolayer water is not in a crystalline state below the 2D critical temperature (319 K), but is composed of many hexagonally linked rings. Above the 2D critical temperature, the hexagonal alignment of water changes to form a one-dimensional linked water structure.
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Kittaka, S., Sugiyama, H., Sumi, H. et al. The Structure of Water Monolayers on a Hydroxylated Chromium Oxide Surface. Adsorption 11 (Suppl 1), 103–107 (2005). https://doi.org/10.1007/s10450-005-5906-7
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DOI: https://doi.org/10.1007/s10450-005-5906-7