skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Surface Structure of TiO 2 Rutile (011) Exposed to Liquid Water

Abstract

The rutile TiO 2(011) surface exhibits a (2 × 1) reconstruction when prepared by standard techniques in ultrahigh vacuum (UHV). Here we report that a restructuring occurs upon exposing the surface to liquid water at room temperature. The experiment was performed in a dedicated UHV system, equipped for direct and clean transfer of samples between UHV and liquid environment. After exposure to liquid water, an overlayer with a (2 × 1) symmetry was observed containing two dissociated water molecules per unit cell. The two OH groups yield an apparent “c(2 × 1)” symmetry in scanning tunneling microscopy (STM) images. On the basis of STM analysis and density functional theory (DFT) calculations, this overlayer is attributed to dissociated water on top of the unreconstructed (1 × 1) surface. Investigation of possible adsorption structures and analysis of the domain boundaries in this structure provide strong evidence that the original (2 × 1) reconstruction is lifted. Unlike the (2 × 1) reconstruction, the (1 × 1) surface has an appropriate density and symmetry of adsorption sites. The possibility of contaminant-induced restructuring was excluded based on X-ray photoelectron spectroscopy (XPS) and low-energy He + ion scattering (LEIS) measurements.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [3];  [1]; ORCiD logo [1]
  1. Technische Univ. Wien, Vienna (Austria). Inst. of Applied Physics
  2. Univ. of Bern, Bern (Switzerland). Dept. of Chemistry and Biochemistry
  3. Princeton Univ., NJ (United States). Frick Lab., Dept. of Chemistry
Publication Date:
Research Org.:
Princeton Univ., NJ (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1413780
Alternate Identifier(s):
OSTI ID: 1505195
Grant/Contract Number:  
SC0007347; FG02-12ER16286
Resource Type:
Journal Article: Published Article
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 121; Journal Issue: 47; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Balajka, Jan, Aschauer, Ulrich, Mertens, Stijn F. L., Selloni, Annabella, Schmid, Michael, and Diebold, Ulrike. Surface Structure of TiO2 Rutile (011) Exposed to Liquid Water. United States: N. p., 2017. Web. doi:10.1021/acs.jpcc.7b09674.
Balajka, Jan, Aschauer, Ulrich, Mertens, Stijn F. L., Selloni, Annabella, Schmid, Michael, & Diebold, Ulrike. Surface Structure of TiO2 Rutile (011) Exposed to Liquid Water. United States. doi:10.1021/acs.jpcc.7b09674.
Balajka, Jan, Aschauer, Ulrich, Mertens, Stijn F. L., Selloni, Annabella, Schmid, Michael, and Diebold, Ulrike. Tue . "Surface Structure of TiO2 Rutile (011) Exposed to Liquid Water". United States. doi:10.1021/acs.jpcc.7b09674.
@article{osti_1413780,
title = {Surface Structure of TiO2 Rutile (011) Exposed to Liquid Water},
author = {Balajka, Jan and Aschauer, Ulrich and Mertens, Stijn F. L. and Selloni, Annabella and Schmid, Michael and Diebold, Ulrike},
abstractNote = {The rutile TiO2(011) surface exhibits a (2 × 1) reconstruction when prepared by standard techniques in ultrahigh vacuum (UHV). Here we report that a restructuring occurs upon exposing the surface to liquid water at room temperature. The experiment was performed in a dedicated UHV system, equipped for direct and clean transfer of samples between UHV and liquid environment. After exposure to liquid water, an overlayer with a (2 × 1) symmetry was observed containing two dissociated water molecules per unit cell. The two OH groups yield an apparent “c(2 × 1)” symmetry in scanning tunneling microscopy (STM) images. On the basis of STM analysis and density functional theory (DFT) calculations, this overlayer is attributed to dissociated water on top of the unreconstructed (1 × 1) surface. Investigation of possible adsorption structures and analysis of the domain boundaries in this structure provide strong evidence that the original (2 × 1) reconstruction is lifted. Unlike the (2 × 1) reconstruction, the (1 × 1) surface has an appropriate density and symmetry of adsorption sites. The possibility of contaminant-induced restructuring was excluded based on X-ray photoelectron spectroscopy (XPS) and low-energy He+ ion scattering (LEIS) measurements.},
doi = {10.1021/acs.jpcc.7b09674},
journal = {Journal of Physical Chemistry. C},
issn = {1932-7447},
number = 47,
volume = 121,
place = {United States},
year = {2017},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1021/acs.jpcc.7b09674

Citation Metrics:
Cited by: 6 works
Citation information provided by
Web of Science

Save / Share: