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

  • Taku OnishiEmail author
Part of the Progress in Theoretical Chemistry and Physics book series (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.

Keywords

Photocatalytic Activity Potential Energy Curve Visible Light Region Strong Covalent Bonding Hybrid Density Functional Theory 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer International Publishing Switzerland 2013

Authors and Affiliations

  1. 1.Department of Chemistry for Materials, Graduate School of EngineeringMie UniversityMieJapan
  2. 2.The Center of Ultimate Technology on Nano-ElectronicsMie University (MIE-CUTE)MieJapan

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