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Photocatalytic green hydrogen (H2) production technology, as a clean technology that replaces traditional fossil fuel-based H2 production, has emerged as a research focus in addressing energy shortages and environmental pollution due to its unique advantage of being driven by solar energy. In recent years, remarkable advancements have been made in the design of photocatalysts and the investigation of reaction mechanisms, but the restricted light absorption range, high recombination rate of photogenerated carriers, and insufficient stability are still serious constraints on the increase in energy conversion efficiency. The development of high-performance photocatalysts is crucial for achieving efficient solar-to-hydrogen (STH) conversion. This review deeply analyzes the fundamental principles of photocatalytic green H2 production from three dimensions: optimization of light absorption performance, regulation of charge dynamics, and enhancement of surface reaction kinetics. It systematically reviews the recent research achievements in this field and deeply deconstructs the design strategies of photocatalysts, aiming to provide references for the rational design of ideal photocatalysts and more in-depth mechanism analysis. Finally, future research directions and potential breakthroughs are discussed, with the aim of accelerating the development and practical application of solar-driven green H2 production technology.

This is an open access article under the terms of the Creative Commons Attribution 4.0 International License (CC BY 4.0, http://creativecommons.org/licenses/by/4.0/).
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