Perovskite compounds stand for promising functional materials for a wealth of important applications such as photocatalysis, superconductors, optoelectronics, dielectrics, etc. This is largely due to the fact that perovskite crystal structures are extremely flexible with regard to cationic or anionic replacements and are also highly diverse in atomic arrangements. These properties are particularly useful for photocatalytic solar fuel productions which involves a number of critical processes such as light absorption, charge separation, charge transferring etc. Efficient solar fuel generations therefore hinges on the optimization of these processes which needs advanced materials engineering techniques. We have investigated several perovskite oxides/oxynitrides and their derivatives for photocatalytic water splitting via structural and compositional modifications [1-7]. Several importantly properties of perovskites such as optical absorption, charge transportation and defects levels etc. can be controlled which all link to the photocatalytic performance.
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