Importantly, the specific pore functionalities not only imparted distinct differences in optoelectronic properties but also played a crucial role in influencing other key attributes in the COF photocatalyst, ultimately impacting H2 evolution. For instance, PCOF-4, distinguished by its imidazole pore functionality, demonstrated elevated surface area, superior wettability, and consequently, exhibited heightened H2 evolution. Conversely, PCOF-5 (pentafluorinated, highly hydrophobic) and PCOF-3 (less order) showcased comparatively lower wettability and surface area, leading to reduced H2 evolution.