Efficient Charge Separation and Transport in Fullerene-CuPcOC₈ Donor-Acceptor Nanorod Enhancing Photocatalytic...

Photocatalytic hydrogen generation via water decomposition is a promising avenue in the pursuit of large-scale, cost-effective renewable hydrogen energy generation. However, the design of an efficient photocatalyst plays a crucial role in achieving high yields in hydrogen generation. Herein, we have engineered a fullerene-2,3,9,10,16,17,23,24-octa(octyloxy)copper phthalocyanine (C₆₀-CuPcOC₈) photocatalyst, achieving both efficient hydrogen generation and high stability. The significant donor-acceptor (D-A) interactions facilitate the efficient electron transfer from CuPcOC₈ to C₆₀. The rate of photocatalytic hydrogen generation for C₆₀-CuPcOC₈ is 8.32 mmol·g^-1·h^-1, which is two orders of magnitude higher than the individual C₆₀ and CuPcOC₈. The remarkable increase in hydrogen generation activity can be attributed to the development of a robust internal electric field within the C₆₀-CuPcOC₈ assembly. It is 16.68 times higher than that of the pure CuPcOC₈. The strong internal electric field facilitates the rapid separation within 0.6 ps, enabling photogenerated charge transfer efficiently. Notably, the hydrogen generation efficiency of C₆₀-CuPcOC₈ remains above 95%, even after 10 h, showing its exceptional photocatalytic stability. This study provides critical insight into advancing the field of photocatalysis.