Visible‐Light‐Induced Photocatalytic Hydrogen Evolution Performance of Graphdiyne‐Alkyne Phosphating Mo–Metal‐Organic Frameworks Heterojunction

Herein, the application of graphdiyne (GDY) in photocatalytic splitting of water and hydrogen evolution is explored. In this article, GDY is prepared by ball milling using calcium carbide as raw material, and it is compounded with phosphating Mo–metal‐organic frameworks (MOFs), to explore the photocatalytic hydrogen evolution performance and hydrogen evolution mechanism of composite catalysts. In the results, it is shown that the P–Mo–MOFs (PMF)/G‐25 composite photocatalyst has the best hydrogen evolution activity, and the hydrogen evolution rate is highest at pH = 9, reaching 1668.5 μmol g⁻¹ h⁻¹. Through the four‐cycle hydrogen evolution cycle stability test, the PMF/G‐25 composites still has good hydrogen evolution stability. It is shown that the combination of phosphating Mo–MOFs and GDY can enhance the hydrogen evolution activity and has excellent hydrogen evolution performance. In the Mott–Schottky test, it is found that PMF and GDY are n‐type semiconductors. The conduction and valence values are −0.56 and 1.10 eV for GDY, and −0.68 and 0.97 eV for PMF, respectively. The mechanism of photocatalytic hydrogen evolution is analyzed, and it is speculated that S‐Scheme heterojunction is formed between PMF and GDY to further promote photocatalytic hydrogen evolution.