This direction translates structural and mechanistic insights into performance breakthroughs. It involves the precise integration of complementary functional units (e.g., donors and acceptors) within heteroleptic assemblies to regulate internal charge/energy transfer paths. The goal is to create highly active, selective, and stable photocatalytic systems for reactions such as hydrogen evolution, H₂O₂ production, and selective substrate oxidation. A key sub-focus is the heterogenization of these molecular catalysts (e.g., into gels or films) to solve recycling and stability issues, thereby promoting practical applications in green synthesis and environmental remediation.