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Water Dissociates at the Aqueous Interface with Reduced Anatase TiO2 (101).

Nadeem, IM; Treacy, JPW; Selcuk, S; Torrelles, X; Hussain, H; Wilson, A; Grinter, DC; ... Thornton, G; + view all (2018) Water Dissociates at the Aqueous Interface with Reduced Anatase TiO2 (101). J Phys Chem Lett , 9 (11) pp. 3131-3136. 10.1021/acs.jpclett.8b01182. Green open access

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Abstract

Elucidating the structure of the interface between natural (reduced) anatase TiO2 (101) and water is an essential step toward understanding the associated photoassisted water splitting mechanism. Here we present surface X-ray diffraction results for the room temperature interface with ultrathin and bulk water, which we explain by reference to density functional theory calculations. We find that both interfaces contain a 25:75 mixture of molecular H2O and terminal OH bound to titanium atoms along with bridging OH species in the contact layer. This is in complete contrast to the inert character of room temperature anatase TiO2 (101) in ultrahigh vacuum. A key difference between the ultrathin and bulk water interfaces is that in the latter water in the second layer is also ordered. These molecules are hydrogen bonded to the contact layer, modifying the bond angles.

Type: Article
Title: Water Dissociates at the Aqueous Interface with Reduced Anatase TiO2 (101).
Location: United States
Open access status: An open access version is available from UCL Discovery
DOI: 10.1021/acs.jpclett.8b01182
Publisher version: http://dx.doi.org/10.1021/acs.jpclett.8b01182
Language: English
Additional information: This is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery-pp.ucl.ac.uk/id/eprint/10050605
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