We report on the synthesis of new Dion-Jacobson phase three-layer perovskite CsBa2Ta3O10 crystals by conventional solid-state reaction and fabrication of their nitrided Ba2Ta3O10 nanosheets via a nitridation-protonation-intercalation-exfoliation route for visible-light-driven photocatalytic water splitting application. The two-dimensional crystal structure of CsBa2Ta3O10 refined by the Rietveld refinement method belongs to the simple tetragonal system and consists of corner-shared distorted TaO6 octahedra and Ba cations in cuboctahedral sites forming triple-layer perovskite slabs. The valence and conduction band edge potentials estimated by density functional theory with respect to vacuum scale and normal hydrogen electrode indicate that CsBa2Ta3O10 is a UV-light-active semiconductor that can be used for photocatalytic water splitting and decomposition of organic pollutants. The projected electronic wave functions contour plot of CsBa2Ta3O10 in the (1 0 0) plane exhibited two different Ta-O bonds. The nitridation at 800 °C for 5 h under NH3 atmosphere was found to be suitable for retaining the phase-purity of nitrided CsBa2Ta3O10 crystals. The fabricated nanosheets of nitrided Ba2Ta3O10 with lateral sizes ranging from several hundred nanometers to a few micrometers and height of about 2.3 nm can be applied for visible-light-driven photocatalytic water splitting.
All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Condensed Matter Physics