Water interactions with terminal hydroxyls on TiO2(110)

Yingge Du; N. Aaron Deskins; Zhenrong Zhang; Zdenek Dohnalek; Michel Dupuis; Igor Lyubinetsky

doi:10.1021/jp1036876

Water interactions with terminal hydroxyls on TiO₂(110)

Yingge Du, N. Aaron Deskins, Zhenrong Zhang, Zdenek Dohnalek, Michel Dupuis, Igor Lyubinetsky

Pacific Northwest National Laboratory

Research output: Contribution to journal › Article

30 Citations (Scopus)

Abstract

A combination of scanning tunneling microscopy and density functional theory has been used to investigate the interactions between water molecules and terminal hydroxyls (OH_t's) adsorbed on the TiO₂(110) surface at 300 K. We show that OH_t's have a significant effect on the water reactivity. Two distinctive reaction pathways are unraveled depending on the whether H₂O and OH_t are on the same or adjacent Ti rows. The underlying reaction mechanisms involve proton transfer from H ₂O to OH_t leading to the formation of new H₂O molecules, accompanied by O scrambling and along- or across-row apparent motion of OH_t's.

Original language	English
Pages (from-to)	17080-17084
Number of pages	5
Journal	Journal of Physical Chemistry C
Volume	114
Issue number	40
DOIs	https://doi.org/10.1021/jp1036876
Publication status	Published - Oct 14 2010

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Energy(all)
Physical and Theoretical Chemistry
Surfaces, Coatings and Films

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Du, Y., Deskins, N. A., Zhang, Z., Dohnalek, Z., Dupuis, M., & Lyubinetsky, I. (2010). Water interactions with terminal hydroxyls on TiO₂(110). Journal of Physical Chemistry C, 114(40), 17080-17084. https://doi.org/10.1021/jp1036876

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AU - Zhang, Zhenrong

AU - Dohnalek, Zdenek

AU - Dupuis, Michel

AU - Lyubinetsky, Igor

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