Topics in Catalysis

, Volume 58, Issue 2–3, pp 103–113 | Cite as

Imaging of Formaldehyde Adsorption and Diffusion on TiO2(110)

  • Zhenrong Zhang
  • Miru Tang
  • Zhi-Tao Wang
  • Zhu Ke
  • Yaobiao Xia
  • Kenneth T. Park
  • Igor Lyubinetsky
  • Zdenek Dohnálek
  • Qingfeng Ge
Original Paper

Abstract

Surface reactions of formaldehyde with reduced TiO2(110) surfaces have been studied using variable-temperature scanning tunneling microscopy (STM) and density functional theory (DFT). STM images taken from a same area at various temperatures clearly show that formaldehyde preferentially adsorbs on the bridge-bonded oxygen (Ob) vacancy (VO) defect sites. Bias-dependent STM images show that the STM features corresponding to both the Ti-bound CH2O and the VO-bound CH2O are positioned between the Ob row and the Ti row. While the VO-bound formaldehyde rotates at 95 K, the Ti-bound CH2O does not. The VO-bound CH2O starts to diffuse along the Ob row as –CH2– at ~170 K and starts to diffuse along the Ti row as an intact molecule at ~215 K. However, the stabilities and the configurations of the Ti-bound and VO-bound formaldehyde calculated using DFT are not in line with the experimental results. The discrepancy between the experiment and theory indicates the presence of a complex charge distribution related to the surface defects.

Keywords

Titanium dioxide Formaldehyde Defects Diffusion Scanning tunneling microscope Density function theory 

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Copyright information

© Springer Science+Business Media New York 2014

Authors and Affiliations

  • Zhenrong Zhang
    • 1
  • Miru Tang
    • 2
  • Zhi-Tao Wang
    • 3
  • Zhu Ke
    • 1
  • Yaobiao Xia
    • 1
  • Kenneth T. Park
    • 1
  • Igor Lyubinetsky
    • 3
  • Zdenek Dohnálek
    • 3
  • Qingfeng Ge
    • 2
  1. 1.Department of PhysicsBaylor UniversityWacoUSA
  2. 2.Department of Chemistry and BiochemistrySouthern Illinois UniversityCarbondaleUSA
  3. 3.Environmental Molecular Sciences LaboratoryInstitute for Interfacial Catalysis, and Pacific Northwest National LaboratoryRichlandUSA

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