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Keyword: Rutile

Original Article
Electronic band gap calculation of N, Co, and (N, Co) single- and dual-doped rutile phase: a hybrid periodic DFT study

  TiO2 is a highly desirable photocatalyst due to its abundance and low cost. However, its large band gap restricts its ability to absorb a significant portion of visible light. This issue can be addressed through cationic or anionic doping. In these instances, the impurity bands reduce the band gap. Nevertheless, in order to enhance […]

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