Photocatalyst for High‐Performance H2 Production: Ga‐Doped Polymeric Carbon Nitride

Abstract A photocatalyst system is generally comprises a catalyst and cocatalyst to achieve light absorption, electron‐hole separation, and surface reaction. It is a challenge to develop a single photocatalyst having all functions so as to lower the efficiency loss. Herein, the active GaN 4 site is integrated into a polymeric carbon nitride (CN) photocatalyst (GCN), which displays an excellent H 2 production rate of 9904 μmol h −1 g −1 . It is 162 and 3.3 times higher than that of CN with the absence (61 μmol h −1 g −1 ) and presence (2981 μmol h −1 g −1 ), respectively, of 1.0 wt % Pt. Under light irradiation the electron is injected and stored at the GaN 4 site, where the LUMO locates. The HOMO distributes on the aromatic ring resulting in spatial charge separation. Transient photovoltage discloses the electron‐storage capability of GCN. The negative GaN 4 promotes proton adsorption in the excited state. The positive adsorption energy drives H 2 desorption from GaN 4 after passing the electron to the proton. This work opens up opportunities for exploring a novel catalyst for H 2 production.