Hydrogen-Accelerated Phase Transition and Diffusion in TiO2 Thin Films

  • Wei Mao*
    Wei Mao
    Institute of Engineering Innovation, School of Engineering, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032, Japan
    Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan
    *E-mail: [email protected] (W.M.).
    More by Wei Mao
  • Markus Wilde*
    Markus Wilde
    Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan
    *E-mail: [email protected] (M.W.).
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  • Shohei Ogura
    Shohei Ogura
    Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan
    More by Shohei Ogura
  • Jikun Chen
    Jikun Chen
    Department of Material Science and Technology, University of Science and Technology Beijing, Beijing 100083, China
    More by Jikun Chen
  • Katsuyuki Fukutani
    Katsuyuki Fukutani
    Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan
  • Hiroyuki Matsuzaki
    Hiroyuki Matsuzaki
    The Micro Analysis Laboratory, Tandem Accelerator, The University Museum, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032, Japan
    Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
  • , and 
  • Takayuki Terai
    Takayuki Terai
    Institute of Engineering Innovation, School of Engineering, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032, Japan
    Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
Cite this: J. Phys. Chem. C 2018, 122, 40, 23026–23033
Publication Date (Web):September 10, 2018
https://doi.org/10.1021/acs.jpcc.8b06893
Copyright © 2018 American Chemical Society
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Abstract

TiO2 thin films have received attention as intermetallic diffusion barriers in hydrogen-permeable membranes used for the extraction of purified H2 from chemical reactors. We report the fabrication of thin (∼100 nm) TiO2 films on Si(111) substrates by pulsed laser deposition. Anatase and rutile phases are found to coexist in the as-deposited TiO2 films by X-ray diffraction. Upon H2 annealing at 773–973 K, the phase transformation from anatase to rutile occurs and completes at a strongly (100–380 K) reduced temperature as compared to bulk TiO2. Atomic force microscopy shows that the surface roughness of the thin films increases only slightly (from 3 to 6 nm) in this H-accelerated phase transition. The hydrogen depth distributions in the TiO2 thin films are revealed with resonant 1H(15N,αγ)12C nuclear reaction analysis and evaluated in terms of a one-dimensional diffusion model, which allows the determination of the temperature-dependent diffusion coefficient of hydrogen as D(T) = (5.27 ± 0.89) × 10–8 exp(−0.86 ± 0.02 eV/kBT) m2 s–1. This H diffusivity is slightly smaller than that in the single-crystal rutile phase, and has a relatively larger activation energy, which is compatible with H trapping at the residual defects in the polycrystalline TiO2 films.

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