Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
50466 | Catalysis Communications | 2013 | 5 Pages |
Cd2Ta2O7, which showed high photocatalytic activity for overall water splitting, was synthesized by sol–gel method. Its maximum activity increased from 46.2 μmol-H2/h and 23.0 μmol-O2/h into 173.0 μmol-H2/h and 86.3 μmol-O2/h when 0.2 wt.% NiO was loaded as co-catalyst. The band structure of Cd2Ta2O7 was calculated by a plane-wave-based density functional theory (DFT). The valence band is mainly formed by O 2p AO's, and the conduction band predominantly consists of Ta 5d, O 2p and Cd 5s5p AO's. Cd atoms endue new features different from other tantalates, and its effect on the band structure of Cd2Ta2O7 was discussed.
Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slideHighlights► A novel Cd2Ta2O7 photocatalyst was synthesized by sol–gel method. ► It contains three-dimensional framework formed by TaO6 and CdO8 polyhedra. ► It could split pure water into H2 and O2 in a nearly stoichiometric ratio. ► Its H2 production rate increased clearly when 0.2% NiO was loaded on its surface. ► The p–d repulsion of O 2p and Cd 4d orbits narrows the band gap.