Acetone-Assisted Oxygen Vacancy Diffusion on TiO2(110)

Journal Article · Thu Oct 18 04:00:00 EDT 2012 · Journal of Physical Chemistry Letters, 3(20):2970–2974

DOI:https://doi.org/10.1021/jz301293y· OSTI ID:1097973

Xia, Yaobiao; Zhang, Bo; Ye, Jingyun; Ge, Qingfeng; Zhang, Zhenrong

We have studied the dynamic relationship between acetone and bridge-bonded oxygen (Ob) vacancy (VO) defect sites on the TiO2(110)-1 × 1 surface using scanning tunneling microscopy (STM) and density function theory (DFT) calculations. We report an adsorbate-assisted VO diffusion mechanism. The STM images taken at 300 K show that acetone preferably adsorbs on the VO site and is mobile. The sequential isothermal STM images directly show that the mobile acetone effectively migrates the position of VO by a combination of two acetone diffusion channels: one is the diffusion along the Ob row and moving as an alkyl group, which heals the initial VO; another is the diffusion from the Ob row to the fivecoordinated Ti4+ row and then moving along the Ti4+ row as an acetone, which leaves a VO behind. The calculated acetone diffusion barriers for the two channels are comparable and agree with experimental results.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1097973
• Journal Information: Journal of Physical Chemistry Letters, 3(20):2970–2974, Journal Name: Journal of Physical Chemistry Letters, 3(20):2970–2974
• Country of Publication: United States
• Language: English

Related Subjects

Environmental Molecular Sciences Laboratory