Nanostructured cubic particles were hydrothermally synthesized and studied experimentally/theoretically for photoreduction of water. The particles were doped with metal atoms , which acquired high cyrstallinity after thermal treatment. showed the highest rate of evolution under photons. The density functional theory calculations of implied that the photocatalytic activity of was due to its suitable band energetics, and the induced hybridized orbitals in the bandgap of .
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