六角形空洞における単原子ニッケルエンジニアリングによる組み込み分極の解明とバイオマス光改質効率の向上

Rapid bulk charge recombination in crystalline semiconductors remains a critical bottleneck hindering the scalability of photocatalytic hydrogen generation. Here, we report that precise anchoring of single-atom nickel into the hexagonal cavities of crystalline Zn₃In₄S₉ activates a strong built-in polarization electric field (PEF), which dramatically enhances charge separation. The optimized Ni_0.4-Zn₃In₄S₉ shows hydrogen production and benzaldehyde (BAD) generation rates of 48.14 and 44.72 mmol g^-1 h^-1, respectively, corresponding to 22.3- and 17.4-fold enhancements over the Zn₃In₄S₉. It also exhibits a 42.9% apparent quantum yield at 420 nm and exceptional stability, maintaining over 94.2% (H₂) and 89.2% (BAD) activity after 48 h with 6.28- and 14.4-fold stability enhancement for hydrogen and BAD production, respectively. This work proposes an atomic-level design strategy for activating PEF in Zn₃In₄S₉ hexagonal cavities, enabling highly efficient photoreforming of biomass derivatives.