Hussain, H;
Ahmed, MHM;
Torrelles, X;
Grinter, DC;
Cabailh, G;
Bikondoa, O;
Nicklin, C;
... Thornton, G; + view all
(2019)
Water-Induced Reversal of the TiO₂(011)-(2 × 1) Surface Reconstruction: Observed with in Situ Surface X-ray Diffraction.
Journal of Physical Chemistry C
, 123
(22)
pp. 13545-13550.
10.1021/acs.jpcc.9b04383.
Preview |
Text
acs.jpcc.9b04383.pdf - Published Version Download (1MB) | Preview |
Abstract
The (011) termination of rutile TiO2 is reported to be particularly effective for photocatalysis. Here, the structure of the interface formed between this substrate and water is revealed using surface X-ray diffraction. While the TiO2(011) surface exhibits a (2 × 1) reconstruction in ultra-high vacuum (UHV), this is lifted in the presence of a multilayer of water at room temperature. This change is driven by the formation of Ti-OH at the interface, which has a bond distance of 1.93 ± 0.02 Å. The experimental solution is in good agreement with density functional theory and first-principles molecular dynamics calculations. These results point to the important differences that can arise between the structure of oxide surfaces in UHV and technical environments and will ultimately lead to an atomistic understanding of the photocatalytic process of water splitting on TiO2 surfaces.
| Type: | Article |
|---|---|
| Title: | Water-Induced Reversal of the TiO₂(011)-(2 × 1) Surface Reconstruction: Observed with in Situ Surface X-ray Diffraction |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/acs.jpcc.9b04383 |
| Publisher version: | https://doi.org/10.1021/acs.jpcc.9b04383 |
| Language: | English |
| Additional information: | This is an open access article published under a Creative Commons Attribution (CC-BY) License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html), 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.ucl.ac.uk/id/eprint/10076880 |
Archive Staff Only
 |
View Item |
