The effects of copper doping on photocatalytic activity at (101) planes of anatase TiO2: A theoretical study

@article{Assadi2016TheEO,
  title={The effects of copper doping on photocatalytic activity at (101) planes of anatase TiO2: A theoretical study},
  author={Mohammad Hussein Naseef Assadi and Dorian A. H. Hanaor},
  journal={Applied Surface Science},
  year={2016},
  volume={387},
  pages={682-689}
}
  • M. Assadi, D. Hanaor
  • Published 30 November 2016
  • Materials Science, Physics
  • Applied Surface Science
Abstract Copper dopants are varyingly reported to enhance photocatalytic activity at titanium dioxide surfaces through uncertain mechanisms. In order to interpret how copper doping might alter the performance of titanium dioxide photocatalysts in aqueous media we applied density functional theory methods to simulate surface units of doped anatase (101) planes. By including van der Waals interactions, we consider the energetics of adsorbed water at anatase surfaces in pristine and copper doped… Expand

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