Core-Level Binding Energy Reveals Hydrogen Bonding Configurations of Water Adsorbed on TiO2 (110) Surface
Kamal, C.; Stenberg, Nader; Walle, Lars Erik; Ragazzon, Davide; Borg, Anne; Uvdal, Per; Skorodumova, Natalia V.; Odelius, Michael; Sandell, Anders
Peer reviewed, Journal article
Published version
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https://hdl.handle.net/11250/2829005Utgivelsesdato
2021Metadata
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Sammendrag
Using x-ray photoelectron spectroscopy of the oxygen 1s core level, the ratio between intact (D2O) and dissociated (OD) water in the hydrated stoichiometric TiO2ð110Þ surface is determined at varying coverage and temperature. In the submonolayer regime, both the D2O∶OD ratio and the core-level binding energy of D2O (ΔBE) decrease with temperature. The observed variations in ΔBE are shown with density functional theory to be governed crucially and solely by the local hydrogen bonding environment, revealing a generally applicable classification and details about adsorption motifs.