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A Theoretical Study on a Visible-Light Photo-Catalytic Activity in Carbon-Doped SrTiO3 Perovskite

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Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology

Part of the book series: Progress in Theoretical Chemistry and Physics ((PTCP,volume 27))

Abstract

Carbon-doping has been explored to enhance the visible-light photocatalytic activity in SrTiO3 perovskite. Here, we considered carbon anion (C2−)-doping at oxygen site, because no oxygen vacancy is then formed. From our density functional theory (DFT) calculations for carbon anion-doped cluster models, it was found that carbon anion-doping enhances the visible-light photocatalytic activity, realizing a stable crystal structure. Finally, we concluded that carbon anion-doped SrTiO3 is one of the best visible-light active photocatalysts.

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Authors and Affiliations

  1. Department of Chemistry for Materials, Graduate School of Engineering, Mie University, 1577 Kurimamachiya-cho, Tsu, Mie, 517-8507, Japan

    Taku Onishi

  2. The Center of Ultimate Technology on Nano-Electronics, Mie University (MIE-CUTE), 1577 Kurimamachiya-cho, Tsu, Mie, 517-8507, Japan

    Taku Onishi

Authors
  1. Taku Onishi
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Correspondence to Taku Onishi .

Editor information

Editors and Affiliations

  1. Department of Physical Chemistry, Åbo Akademi University, Turku, Finland

    Matti Hotokka

  2. Uppsala University Department of Quantum Chemistry, Uppsala, Sweden

    Erkki J. Brändas

  3. Laboratoire de Chimie Physique, Paris, France

    Jean Maruani

  4. Instituto de Física Fundamental, CSIC, Madrid, Spain

    Gerardo Delgado-Barrio

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Onishi, T. (2013). A Theoretical Study on a Visible-Light Photo-Catalytic Activity in Carbon-Doped SrTiO3 Perovskite. In: Hotokka, M., Brändas, E., Maruani, J., Delgado-Barrio, G. (eds) Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology. Progress in Theoretical Chemistry and Physics, vol 27. Springer, Cham. https://doi.org/10.1007/978-3-319-01529-3_13

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