Polarization- and azimuth-resolved infrared spectroscopy of water on TiO 2(110)

Anisotropy and the hydrogen-bonding network

Greg A. Kimmel, Marcel Baer, Nikolay G. Petrik, Joost Vandevondele, Roger Rousseau, Christopher J. Mundy

Research output: Contribution to journalArticle

66 Citations (Scopus)

Abstract

We have investigated the structure and dynamics of thin water films adsorbed on TiO 2(110) using infrared reflection-absorption spectroscopy (IRAS) and ab initio molecular dynamics. Infrared spectra were obtained for s- and p-polarized light with the plane of incidence parallel to the [001] and [11̄0] azimuths for water coverages ≥ 4 monolayers. The spectra indicate strong anisotropy in the water films. The vibrational densities of states predicted by the ab initio simulations for 1 and 2 monolayer coverages agree well with the observations. The results provide new insight into the structure of water on TiO 2(110) and resolve a long-standing puzzle regarding the hydrogen bonding between molecules in the first and second monolayers on this surface. The results also demonstrate the capabilities of polarization- and azimuth-resolved IRAS for investigating the structure and dynamics of adsorbates on dielectric substrates.

Original languageEnglish
Pages (from-to)778-784
Number of pages7
JournalJournal of Physical Chemistry Letters
Volume3
Issue number6
DOIs
Publication statusPublished - Mar 15 2012

Fingerprint

azimuth
Infrared spectroscopy
Hydrogen bonds
Anisotropy
infrared spectroscopy
Polarization
Monolayers
anisotropy
Water
infrared reflection
polarization
hydrogen
Infrared radiation
Absorption spectroscopy
water
absorption spectroscopy
Adsorbates
Light polarization
polarized light
sands

Keywords

  • Catalysis
  • Interfaces
  • Surfaces

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Polarization- and azimuth-resolved infrared spectroscopy of water on TiO 2(110) : Anisotropy and the hydrogen-bonding network. / Kimmel, Greg A.; Baer, Marcel; Petrik, Nikolay G.; Vandevondele, Joost; Rousseau, Roger; Mundy, Christopher J.

In: Journal of Physical Chemistry Letters, Vol. 3, No. 6, 15.03.2012, p. 778-784.

Research output: Contribution to journalArticle

Kimmel, Greg A. ; Baer, Marcel ; Petrik, Nikolay G. ; Vandevondele, Joost ; Rousseau, Roger ; Mundy, Christopher J. / Polarization- and azimuth-resolved infrared spectroscopy of water on TiO 2(110) : Anisotropy and the hydrogen-bonding network. In: Journal of Physical Chemistry Letters. 2012 ; Vol. 3, No. 6. pp. 778-784.
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