ABSTRACT Photocatalysis technology has undergone rapid development, demonstrating immense potential in solar energy conversion, environmental remediation, and organic transformation. Self‐assembly techniques have garnered enormous attention in photocatalysis due to simplicity, flexibility, operability, and multi‐functionality, providing a powerful and promising platform for the precise design of the structure, morphology, and functionality of photocatalysts at the nanoscale. Mediated by non‐covalent interactions, the coupling of diverse building blocks endows artificial photoystems with enhanced photoactivities and a broad range of photocatalytic applications. This review briefly introduces the fundamental mechanisms of photocatalysis and systematically discusses the driving forces behind the self‐assembly of photocatalysts, multifarious self‐assembly methods, and factors influencing the self‐assembly process. A detailed overview is provided on the construction of photocatalysts with various dimensions (1D, 2D, and 3D) and hybrid nano‐architectures (0D–1D, 1D–1D, 0D–2D, 1D–2D, and 2D–2D) via self‐assembly techniques. Furthermore, the applications of these self‐assembled artificial photosystems in a diverse array of photocatalytic reactions are showcased, including photocatalytic water splitting, CO 2 reduction, nitrogen fixation, hydrogen peroxide production, and organic transformation. Finally, by discussing the challenges and potential solutions in the development of high‐performance self‐assembled photocatalysts, this review aims to offer novel insights into future research on the self‐assembly of photocatalytic materials for sustainable solar energy conversion.
Lin et al. (2026) studied this question.