Origin of the enhanced photocatalytic activity of (Ni, Se, and B) mono- and co-doped anatase TiO2 materials under visible light: a hybrid DFT study
Keyword(s):
Hybrid DFT calculations demonstrate that Ni, Se4+ and Se2− mono-doped and Ni/Se4+ co-doped TiO2 are potential photocatalysts for water splitting and hydrogen production.
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