Facet Dependence of Photocatalytic Activity in Anatase TiO2: Combined Experimental and DFT Study

DOI PDF 被引用文献4件 参考文献42件 オープンアクセス
  • Tatsuya Joutsuka
    Institute of Quantum Beam Science, Graduate School of Science and Engineering, Ibaraki University, Hitachi, Ibaraki 316-8511 , Japan
  • Hiroto Yoshinari
    Institute of Quantum Beam Science, Graduate School of Science and Engineering, Ibaraki University, Hitachi, Ibaraki 316-8511 , Japan
  • Satoshi Yamauchi
    Institute of Quantum Beam Science, Graduate School of Science and Engineering, Ibaraki University, Hitachi, Ibaraki 316-8511 , Japan

抄録

<jats:title>Abstract</jats:title> <jats:p>For enhancing the photocatalytic performance of anatase TiO2, proper control of the reactive facets and its molecular-level understanding are crucial. This experimental and theoretical study clarifies the facet dependence of the photocatalytic reaction at the anatase TiO2 surface. The ⟨112⟩-oriented anatase TiO2 layer is deposited on a Ru(0001) substrate at 360 °C by low-pressure chemical vapor deposition. The deposition rate is three times higher than that of the multi-orientation layer on the Pyrex glass. The photocatalytic activity induced by ultraviolet (UV) irradiation around 365 nm in methylene blue aqueous solutions is significantly high, and the rate constant is 6.1 × 10−1 min−1, which is two orders of magnitude greater than that on the multi-orientation TiO2. The density functional theory (DFT) calculations using the constrained DFT method and the hybrid functionals show that the (112) surface stabilizes the adsorbed water molecule most strongly. The photogenerated hole is stably trapped not at the bare surface but at the hydroxylated surface, especially at the hydroxyl group of the hydroxylated (112) and (001) surfaces. The experimental and theoretical findings consistently indicate the high photocatalytic activity at the anatase TiO2(112) surface.</jats:p>

収録刊行物

被引用文献 (4)*注記

もっと見る

参考文献 (42)*注記

もっと見る

関連プロジェクト

もっと見る

キーワード

詳細情報 詳細情報について

問題の指摘

ページトップへ