Water Interactions with Terminal Hydroxyls on TiO2 (110)
Journal Article
·
· Journal of Physical Chemistry C, 114(40):17080-17084
A combination of scanning tunneling microscopy and density functional theory has been used to investigate the interactions between water molecules and terminal hydroxyls (OHt’s) adsorbed on the TiO2(110) surface at 300 K. We show that OHt’s have a significant effect on the water reactivity. Two distinctive reaction pathways are unraveled depending on the whether H2O and OHt are on the same or adjacent Ti rows. The underlying reaction mechanisms involve proton transfer from H2O to OHt leading to the formation of new H2O molecules, accompanied by O scrambling and along- or across-row apparent motion of OHt’s.
- Research Organization:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 991063
- Report Number(s):
- PNNL-SA-73025; 35219; 35193; KP1704020
- Journal Information:
- Journal of Physical Chemistry C, 114(40):17080-17084, Journal Name: Journal of Physical Chemistry C, 114(40):17080-17084 Journal Issue: 40 Vol. 114; ISSN 1932-7447
- Country of Publication:
- United States
- Language:
- English
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