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

The Journal of Physical Chemistry Letters
Immad M NadeemGeoff Thornton

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.

References

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Citations

Dec 20, 2019·Physical Chemistry Chemical Physics : PCCP·Xiufeng LangHongsheng Zhang
Oct 24, 2019·The Journal of Chemical Physics·Florian KraushoferGareth S Parkinson
Feb 2, 2021·The Journal of Physical Chemistry Letters·Siqin ZhaoXinhe Bao
Mar 10, 2021·The Journal of Chemical Physics·Laura E RatcliffLuigi Genovese
Jan 28, 2020·Chemical Science·Marcos F Calegari AndradeAnnabella Selloni
Oct 15, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Lorenzo MinoGianmario Martra
Aug 29, 2018·The Journal of Physical Chemistry Letters·Bo WenLi-Min Liu
May 7, 2019·The Journal of Physical Chemistry. C, Nanomaterials and Interfaces·J P W TreacyR Lindsay
Jun 18, 2019·The Journal of Physical Chemistry. C, Nanomaterials and Interfaces·Hadeel HussainGeoff Thornton
Nov 6, 2018·The Journal of Physical Chemistry Letters·Marcos F Calegari AndradeAnnabella Selloni
Oct 23, 2020·The Journal of Physical Chemistry Letters·N Aaron DeskinsNikolay G Petrik
Oct 2, 2021·The Journal of Physical Chemistry Letters·Robert E WarburtonSharon Hammes-Schiffer

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Methods Mentioned

BETA
X-ray
scanning tunneling microscopy

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