Advances in 2D/3D Heterostructures for Photocatalysis: Structural Design, Performance Optimization, and Multifunctional Applications

Photocatalysis offers a sustainable pathway for solar energy conversion and environmental remediation, yet its efficiency is limited by rapid charge recombination and poor solar spectrum utilization in conventional catalysts. The integration of 2D and 3D materials into heterostructures represents a transformative design paradigm in this field, where dimensional hybridization creates synergistic heterointerfaces that simultaneously boost light harvesting, directional charge separation, and surface redox reaction kinetics. This review systematically summarizes state‐of‐the‐art advances in 2D/3D heterojunction photocatalysts, with a core focus on the underlying fundamental charge transfer mechanisms including Type‐II, Z‐scheme, S‐scheme, and Schottky junction configurations. Beyond mechanistic analysis, it further covers the corresponding rational material design principles, advanced interface engineering strategies, and diverse photocatalytic applications of these heterostructures. The critical challenges and future research directions in this field are also highlighted, providing insights into the development of next‐generation high‐performance photocatalysts.