Water interactions with terminal hydroxyls on TiO2(110)

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

Research output: Contribution to journalArticlepeer-review

31 Citations (Scopus)


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 H 2O to OHt leading to the formation of new H2O molecules, accompanied by O scrambling and along- or across-row apparent motion of OHt's.

Original languageEnglish
Pages (from-to)17080-17084
Number of pages5
JournalJournal of Physical Chemistry C
Issue number40
Publication statusPublished - 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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