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Bandgap reduction of photocatalytic TiO(2) nanotube by Cu doping

We performed the electronic structure calculations of Cu-doped TiO(2) nanotubes by using density functional theory aided by the Hubbard correction (DFT + U). Relative positions of the sub-bands due to the dopants in the band diagram are examined to see if they are properly located within the redox i...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Gharaei, S. Khajoei, Abbasnejad, M., Maezono, Ryo
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6154974/
https://ncbi.nlm.nih.gov/pubmed/30242275
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-32130-w
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