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Role of point defects on the reactivity of reconstructed anatase titanium dioxide (001) surface

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  • Yang Wang

    (Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China)

  • Huijuan Sun

    (Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China)

  • Shijing Tan

    (Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China
    School of Biotechnology, Royal Institute of Technology)

  • Hao Feng

    (Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China)

  • Zhengwang Cheng

    (Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China)

  • Jin Zhao

    (Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China)

  • Aidi Zhao

    (Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China)

  • Bing Wang

    (Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China)

  • Yi Luo

    (Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China
    School of Biotechnology, Royal Institute of Technology)

  • Jinlong Yang

    (Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China)

  • J. G. Hou

    (Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China)

Abstract

The chemical reactivity of different surfaces of titanium dioxide (TiO2) has been the subject of extensive studies in recent decades. The anatase TiO2(001) and its (1 × 4) reconstructed surfaces were theoretically considered to be the most reactive and have been heavily pursued by synthetic chemists. However, the lack of direct experimental verification or determination of the active sites on these surfaces has caused controversy and debate. Here we report a systematic study on an anatase TiO2(001)-(1 × 4) surface by means of microscopic and spectroscopic techniques in combination with first-principles calculations. Two types of intrinsic point defects are identified, among which only the Ti3+ defect site on the reduced surface demonstrates considerable chemical activity. The perfect surface itself can be fully oxidized, but shows no obvious activity. Our findings suggest that the reactivity of the anatase TiO2(001) surface should depend on its reduction status, similar to that of rutile TiO2 surfaces.

Suggested Citation

  • Yang Wang & Huijuan Sun & Shijing Tan & Hao Feng & Zhengwang Cheng & Jin Zhao & Aidi Zhao & Bing Wang & Yi Luo & Jinlong Yang & J. G. Hou, 2013. "Role of point defects on the reactivity of reconstructed anatase titanium dioxide (001) surface," Nature Communications, Nature, vol. 4(1), pages 1-8, October.
    • Handle: RePEc:nat:natcom:v:4:y:2013:i:1:d:10.1038_ncomms3214
    DOI: 10.1038/ncomms3214
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    Cited by:

    1. Zeng, Qingyi & Bai, Jing & Li, Jinhua & Li, Linsen & Xia, Ligang & Zhou, Baoxue & Sun, Yugang, 2018. "Highly-stable and efficient photocatalytic fuel cell based on an epitaxial TiO2/WO3/W nanothorn photoanode and enhanced radical reactions for simultaneous electricity production and wastewater treatme," Applied Energy, Elsevier, vol. 220(C), pages 127-137.
    2. Xiaochuan Ma & Yongliang Shi & Zhengwang Cheng & Xiaofeng Liu & Jianyi Liu & Ziyang Guo & Xuefeng Cui & Xia Sun & Jin Zhao & Shijing Tan & Bing Wang, 2024. "Unveiling diverse coordination-defined electronic structures of reconstructed anatase TiO2(001)-(1 × 4) surface," Nature Communications, Nature, vol. 15(1), pages 1-9, December.
    3. Arkan, Foroogh & Izadyar, Mohammad, 2018. "Recent theoretical progress in the organic/metal-organic sensitizers as the free dyes, dye/TiO2 and dye/electrolyte systems; Structural modifications and solvent effects on their performance," Renewable and Sustainable Energy Reviews, Elsevier, vol. 94(C), pages 609-655.

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