Atomically precise nanoclusters (NCs), which bridge the gap between molecular chemistry and nanochemistry, are drawing significant attention in various fields. Due to their discrete energy structures like molecules, NCs exhibit intriguing optical properties and defined metal sites, making them an ideal platform for studying photocatalytic reactions. This perspective elaborates the design principles for efficient NCs based water splitting photocatalysts from three fundamental aspects in photocatalysis: (1) light absorption and charge excitation, (2) charge separation and transport, and (3) surface reactions. An outlook on future work for developing NCs based water splitting photocatalysts is also provided.
Qiao‐Ling MoXiao‐Cheng DaiFang‐Xing Xiao